SCHEMBL6502278

SCHEMBL6502278

O=c1c(-c2ccc(Cl)cc2)nc2ccccc2n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
USP2 O75604 7/20 0.57
CYP1A2 P05177 7/20 0.57
CASP1 P29466 6/20 0.57
CASP7 P55210 6/20 0.57
HSD17B10 Q99714 6/20 0.57
HIF1A Q16665 5/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TSHR P16473 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX15 P16050 1/20 0.57
HPGD P15428 2/20 0.54
BRCA1 P38398 1/20 0.54
HBB P68871 1/20 0.54
GSR P00390 2/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL11393995 0.94 ALDH1A1 (0.56) ALDH1A1USP2CYP1A2CASP1CASP7
SCHEMBL28950141 0.86 ALDH1A1 (0.60) ALDH1A1USP2CYP1A2CASP7HSD17B10
SCHEMBL30139989 0.86 ALDH1A1 (0.60) ALDH1A1USP2CYP1A2CASP7HSD17B10
SCHEMBL28950136 0.79 ALDH1A1 (0.77) ALDH1A1USP2CYP1A2CASP1CASP7
SCHEMBL30139985 0.79 ALDH1A1 (0.77) ALDH1A1USP2CYP1A2CASP1CASP7
SCHEMBL11399920 0.79 PTGS2 (0.51) ALDH1A1CYP1A2HSD17B10LMNAMEN1
SCHEMBL8022202 0.79 PTGS2 (0.69) ALDH1A1CYP1A2LMNAMEN1KMT2A
SCHEMBL979635 0.79 CFTR (0.64) ALDH1A1USP2CYP1A2CASP1CASP7
SCHEMBL11395176 0.77 CYP1A2 (0.65) ALDH1A1USP2CYP1A2CASP1CASP7
SCHEMBL11399373 0.77 GSR (0.52) ALDH1A1CYP1A2HSD17B10LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US claimed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US claimed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US disclosed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 WO 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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 ALDH1A1 1960/4885USP2 1301/4885CYP1A2 659/4885

“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.