SCHEMBL832455

SCHEMBL832455

[c]1cccc2c1nc1ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 6/20 0.47
GLA P06280 5/20 0.47
GAA P10253 5/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL832822 0.78 PARP1 (0.37) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL832456 0.75 KDM4E (0.49) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23294815 0.74 KDM4E (0.46) KDM4EALDH1A1GLAGAANPC1
SCHEMBL832677 0.72 KDM4E (0.39) KDM4EALDH1A1GLAGAANPC1
SCHEMBL7794403 0.72 KDM4E (0.49) KDM4EALDH1A1GLAGAANPC1
SCHEMBL839837 0.71 ALDH1A1 (0.62) KDM4EALDH1A1GLAGAANPC1
SCHEMBL23294835 0.68 KDM4E (0.47) KDM4EALDH1A1GLAGAANPC1
SCHEMBL12883867 0.66 KDM4E (0.54) KDM4EALDH1A1GLAGAANPC1
SCHEMBL13266746 0.65 KDM4E (0.65) KDM4EALDH1A1GLAGAANPC1
SCHEMBL24489622 0.64 KDM4E (0.47) KDM4EALDH1A1GLAGAANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CARDURION PHARMACEUTICALS, INC. (US) 2024-06-04 US disclosed
EP-3630772-B1 METHODS OF MAKING AND USING PDE9 INHIBITORS IMARA INC (US) 2023-11-01 EP disclosed
US-20230183244-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS CARDURION PHARMACEUTICALS, INC. 2023-06-15 US disclosed
US-11370795-B2 Process for the synthesis of 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one Imara Inc. (US) 2022-06-28 US disclosed
US-20220185836-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CANCERS XLINK THERAPEUTICS INC (US) 2022-06-16 US disclosed
EP-3157515-B1 PLATINUM COMPOUNDS, COMPOSITIONS, AND USES THEREOF PLACON THERAPEUTICS INC (US) 2021-05-26 EP disclosed
EP-3797768-A1 MALEIMIDE-FUNCTIONALISED PLATINUM FOR USE IN THE TREATMENT OF CANCER Placon Therapeutics, Inc. (US) 2021-03-31 EP disclosed
US-20210085684-A1 PDE9 INHIBITORS FOR TREATMENT OF PERIPHERAL DISEASES CARDURION PHARMACEUTICALS, INC. 2021-03-25 US disclosed
EP-3313392-B1 PLATINUM COMPOUNDS, COMPOSITIONS, AND USES THEREOF PLACON THERAPEUTICS INC (US) 2020-09-16 EP disclosed
US-20200157108-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS CARDURION PHARMACEUTICALS, INC. 2020-05-21 US disclosed
EP-2235003-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
US-20090306143-A1 Derivatives of N-(heteroaryl)-1-heteroaryl-1H-indole-2-carboxamides, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2125811-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY Sanofi-Aventis (FR) 2009-12-02 EP disclosed
EP-2125787-A1 DERIVATIVES OF N-(HETEROARYL)-1-HETEROARYL-1H-INDOL-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2009109710-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-11 WO disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
WO-2008107544-A1 DERIVATIVES OF N-(HETEROARYL)-1-HETEROARYL-1H-INDOL-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-09-12 WO disclosed
WO-2008093024-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI-AVENTIS (FR) 2008-08-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220185836-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CANCERS TP53, VHL, KRAS KDM4E 1824/4885ALDH1A1 2098/4885GLA 3247/4885
US-20210085684-A1 PDE9 INHIBITORS FOR TREATMENT OF PERIPHERAL DISEASES PDE9A, PDE12, PDE5A KDM4E 3503/4885ALDH1A1 1037/4885GLA 904/4885
US-20200157108-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS PDE9A, PDE2A, PDE3B KDM4E 1993/4885ALDH1A1 560/4885GLA 227/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS KDM4E 1797/4885ALDH1A1 484/4885GLA 2541/4885
US-20090306143-A1 Derivatives of N-(heteroaryl)-1-heteroaryl-1H-indole-2-carboxamides, preparation thereof and therapeutic use thereof IDO1, IDO2, KYNU KDM4E 1035/4885ALDH1A1 1517/4885GLA 1975/4885
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CDK8, PRMT8, RPS8 KDM4E 969/4885ALDH1A1 2636/4885GLA 4010/4885
US-20230183244-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS PDE9A, PDE4B, PDE12 KDM4E 2462/4885ALDH1A1 2125/4885GLA 175/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 KDM4E 804/4885ALDH1A1 780/4885GLA 1974/4885
US-11370795-B2 Process for the synthesis of 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3-tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one TYMS, TKT, TPMT KDM4E 1156/4885ALDH1A1 648/4885GLA 3152/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.