SCHEMBL1645842

SCHEMBL1645842

COc1ccccc1CNc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.58
JAK2 O60674 1/20 0.56
PTK2 Q05397 1/20 0.56
TSHR P16473 6/20 0.56
GAA P10253 5/20 0.56
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 4/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 5/20 0.52
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
ATM Q13315 1/20 0.51
CYP1A2 P05177 6/20 0.51

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
SCHEMBL30287924 0.86 HIF1A (0.74) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL10388545 0.86 HIF1A (0.74) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL28906915 0.81 HIF1A (0.64) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL2979268 0.80 HIF1A (0.62) HIF1ATSHRGAAALDH1A1ALOX15
Hydrochloric Acid SCHEMBL2987335 0.79 HIF1A (0.61) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL2469342 0.78 HIF1A (0.59) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL3050018 0.75 ALDH1A1 (0.59) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL4820844 0.75 HIF1A (0.72) HIF1ATSHRGAAALDH1A1ALOX15
SCHEMBL3957261 0.75 ATM (0.60) HIF1ATSHRALDH1A1ALOX15MAPT
SCHEMBL4614260 0.74 HIF1A (0.52) HIF1ATSHRGAAALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4665239-B2 2011-04-06 JP claimed
JP-2002512230-A 2002-04-23 JP claimed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP claimed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO claimed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 HIF1A 2570/4885JAK2 1472/4885PTK2 2346/4885

“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.