SCHEMBL314691

SCHEMBL314691

Cc1nc2c[c]ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 5/20 0.39
POLB P06746 4/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
PKM P14618 1/20 0.36
PARP1 P09874 5/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GLA P06280 2/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL2077576 0.84 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL2564874 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL15200719 0.76 ALDH1A1 (0.31) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2562588 0.76
SCHEMBL19330024 0.76 DDAH1 (0.58) RAB9APOLBNPC1KMT2AGAA
SCHEMBL17977284 0.74 PARP1 (0.59) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL10623768 0.74 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2HSP90AA1
Water SCHEMBL3067921 0.72 RAB9A (0.64) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL17263790 0.72 ALDH1A1 (0.42) ALDH1A1RAB9APOLBNPC1SMN1; SMN2
SCHEMBL4194664 0.72 NPSR1 (0.58) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN claimed
WO-2019113359-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2019-06-13 WO claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3402791-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2018-11-21 EP claimed
US-6479505-B1 TREATING AIRWAY DISORDER IN A PATIENT COMPRISING ADMINISTERING TO SAID PATIENT IN NEED THEREOF A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PHOSPHODIESTERASE IV INHIBITOR ALTANA PHARMA AG (DE) 2002-11-12 US claimed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
EP-1149072-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
EP-1147088-A1 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
WO-2000042019-A1 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO claimed
WO-2000037436-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-29 WO claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 ALDH1A1 373/4885RAB9A 808/4885POLB 2497/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 ALDH1A1 700/4885RAB9A 2400/4885POLB 4275/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 ALDH1A1 2418/4885RAB9A 868/4885POLB 2111/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 682/4885RAB9A 2401/4885POLB 4323/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 682/4885RAB9A 2401/4885POLB 4323/4885

“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.