SCHEMBL23732242

SCHEMBL23732242

COc1ncc(F)cc1-c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.45
HTT P42858 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.40
MAPK1 P28482 1/20 0.39
SCN9A Q15858 2/20 0.38
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
SQOR Q9Y6N5 3/20 0.36
CHEK1 O14757 1/20 0.36
POLQ O75417 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CASP6 P55212 1/20 0.35
PIK3CA P42336 1/20 0.35
GRM7 Q14831 1/20 0.35
AURKA O14965 1/20 0.34
TTK P33981 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
SCHEMBL26116987 0.75 HTT (0.38) RECQLHTTMAPK1ALOX5APFEN1
SCHEMBL29686192 0.75 HTT (0.38) RECQLHTTMAPK1ALOX5APFEN1
SCHEMBL26546110 0.75 CHEK1 (0.36) RECQLHTTGPBAR1MAPK1ALOX5AP
SCHEMBL2403919 0.71 KDM1A (0.50) RECQLGPBAR1MAPK1KDM4ECYP3A4
SCHEMBL15472079 0.70 PIK3CA (0.41) CYP3A4PIK3CAAURKAAURKBALDH1A1
SCHEMBL12093598 0.70 PIK3CA (0.44) CYP3A4PIK3CAAURKATTKAURKB
SCHEMBL3570149 0.70 RECQL (0.49) RECQLHTTMAPK1CHEK1KDM4E
SCHEMBL30827972 0.70 CDK2 (0.40) GPBAR1SCN9AALOX5APFEN1SQOR
SCHEMBL28582907 0.70 CDK2 (0.40) GPBAR1SCN9AALOX5APFEN1SQOR
SCHEMBL30828009 0.69 CCNT1 (0.35) GPBAR1SCN9APOLQPIK3CA

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-20210403485-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2021-12-30 US disclosed
EP-3858834-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR Shandong Luye Pharmaceutical Co., Ltd. (CN) 2021-08-04 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-20210403485-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS SELECTIVE TRK INHIBITOR NTRK1, RET, TTK RECQL 4089/4885HTT 1795/4885GPBAR1 1229/4885

“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.