SCHEMBL13201608

SCHEMBL13201608

COc1cc(C)nc2c(OC)nccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.45
MAPT P10636 1/20 0.44
DHFR P00374 1/20 0.39
TRPA1 O75762 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
DOT1L Q8TEK3 1/20 0.36
ATR Q13535 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36
TERT O14746 1/20 0.35
ATRIP Q8WXE1 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL17911945 0.80 CRHR1 (0.45) CRHR1MAPTDHFRKDM4EHTT
SCHEMBL31290693 0.80 MAPT (0.53) CRHR1MAPTDHFRCYP1A2CYP3A4
SCHEMBL15028115 0.80 MAPT (0.53) CRHR1MAPTDHFRCYP1A2CYP3A4
SCHEMBL13201849 0.78 MEN1 (0.39) MAPTTRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL26766431 0.74 CRHR1 (0.58) CRHR1MAPTGAAKDM4EHTT
SCHEMBL9890979 0.72 LMNA (0.55) CRHR1MAPTDHFRCYP1A2GAA
SCHEMBL23169318 0.72 RAB9A (0.52) MAPTGAAKDM4ESMN1; SMN2
SCHEMBL17921313 0.71 MAPT (0.49) MAPTCYP1A2GAAKDM4EPDGFRB
SCHEMBL2875528 0.70 CRHR1 (0.55) CRHR1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11619165 0.70 KDM4E (0.65) CRHR1MAPTDHFRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP CRHR1 1607/4885MAPT 4288/4885DHFR 726/4885

“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.