SCHEMBL22647495

SCHEMBL22647495

CS(C)(C)c1cccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
GRIN1 Q05586 2/20 0.53
GPR35 Q9HC97 2/20 0.53
MEN1 O00255 1/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
AHR P35869 1/20 0.53
CHRNA7 P36544 1/20 0.53
KMT2A Q03164 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53

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
SCHEMBL24190029 0.89 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL30889447 0.83 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL2003980 0.80 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL29425071 0.78 FLT3 (0.58) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL3110629 0.78 FLT3 (0.58) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL22395008 0.76 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL29425115 0.76 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL3417091 0.76 FLT3 (0.60) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL2762336 0.76 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDGRIN1
SCHEMBL2806087 0.76 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 US disclosed
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-02-01 US disclosed
US-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-06-17 US disclosed
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 US 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 (4 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-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 KDM4E 657/4885HSD17B10 2193/4885ALDH1A1 3682/4885
US-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) CDK2, HCCS, BRD4 KDM4E 780/4885HSD17B10 3150/4885ALDH1A1 3842/4885
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 KDM4E 838/4885HSD17B10 1978/4885ALDH1A1 3863/4885
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, CDK2 KDM4E 682/4885HSD17B10 3024/4885ALDH1A1 3701/4885

“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.