SCHEMBL7758239

SCHEMBL7758239

Cc1nc(C)c2c(n1)COC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
CYP2C19 P33261 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL4908918 0.78 MEN1 (0.30) MAPT
SCHEMBL4907322 0.78
SCHEMBL20783854 0.78 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL31707825 0.78 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL14214190 0.78 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL15444690 0.70
SCHEMBL20416978 0.65 UHRF1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19362417 0.64 PDE10A (0.34) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL19362373 0.64 PDE10A (0.34) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL9606752 0.64 KDM4E (0.41) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
WO-2022012409-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-20 WO disclosed
EP-3932404-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-01-05 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 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 (1 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR KDM4E 2554/4885ALDH1A1 4645/4885CYP1A2 1319/4885

“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.