SCHEMBL6505435

SCHEMBL6505435

Cc1sc(-c2cccnc2)nc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 3/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
GFER P55789 1/20 0.52
ALOX5 P09917 1/20 0.51
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
GPR35 Q9HC97 1/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2B6 P20813 1/20 0.48
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL13602416 0.88 KDM4E (0.58) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL20022398 0.87 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL3995172 0.84 RARA (0.60) LMNAKDM4EALDH1A1MAPTALOX5
SCHEMBL20022399 0.82 CDC7 (0.62) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL6431720 0.82 L3MBTL1 (0.56) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL25580282 0.82 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL17803431 0.80 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL595294 0.79 CYP1A2 (0.77) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL20026566 0.79 CDC7 (0.53) CYP3A4CYP1A2CYP2C19LMNAKDM4E
SCHEMBL17641122 0.79 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093968-A1 QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2018-04-05 US disclosed
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP 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-20180093968-A1 QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS TYRO3, MERTK, AXL CYP3A4 3495/4885CYP1A2 3615/4885CYP2C19 4235/4885

“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.