SCHEMBL13510686

SCHEMBL13510686

CCn1nc(-c2ccccc2)c(-c2cnc(OC)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.43
▸ CYP1A2 P05177 10/20 0.43
▸ HSD17B10 Q99714 10/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ CYP3A4 P08684 7/20 0.41
▸ CYP2C9 P11712 5/20 0.41
▸ USP2 O75604 5/20 0.40
▸ CASP1 P29466 5/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CASP7 P55210 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL13509083 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2HSD17B10MAPK1CYP3A4
SCHEMBL8205476 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10MAPK1CYP3A4
SCHEMBL13510715 0.82 KDR (0.46) HSD17B10HPGDMEN1KMT2AGRM5
SCHEMBL13243234 0.81 KMT2A (0.47) ALDH1A1HSD17B10MAPK1USP2CASP1
SCHEMBL13510724 0.79 KDM4E (0.57) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL17280145 0.74 CASP1 (0.42) ALDH1A1HSD17B10MAPK1USP2CASP1
SCHEMBL13510688 0.72 LTA4H (0.47) ALDH1A1MAPTATMTSHRLMNA
SCHEMBL13510722 0.72 GABRA5 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14294733 0.71 NR1H2 (0.54) ALDH1A1CYP1A2MAPK1CYP3A4CYP2C9
SCHEMBL16225052 0.71 ALOX5AP (0.49) ALDH1A1CYP1A2HSD17B10CASP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC ALDH1A1 1237/4885CYP1A2 261/4885HSD17B10 770/4885

“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.

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