SCHEMBL4173344

SCHEMBL4173344

Nc1cccc(Oc2nc(Cl)ncc2C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
PIN1 Q13526 4/20 0.42
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
CDK1 P06493 2/20 0.39
CDK8 P49336 2/20 0.38
MAPK10 P53779 1/20 0.37
ADORA2A P29274 1/20 0.37
EGFR P00533 2/20 0.37
CASP6 P55212 1/20 0.36
CCNC P24863 1/20 0.36

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
SCHEMBL16706312 0.82 POLB (0.53) F10PIN1MAOBPOLBHSP90AA1
SCHEMBL30672854 0.82 POLB (0.53) F10PIN1MAOBPOLBHSP90AA1
SCHEMBL4171567 0.82 EGFR (0.47) F10PIN1RAB9AMAOBPOLB
SCHEMBL30635854 0.82 EGFR (0.47) F10PIN1RAB9AMAOBPOLB
SCHEMBL9945481 0.80 PIN1 (0.47) F10PIN1MAOBPOLBHSP90AA1
SCHEMBL4172984 0.80 PIN1 (0.44) F10PIN1MAOBPOLBHSP90AA1
SCHEMBL30672829 0.77 PIN1 (0.51) PIN1RAB9AMAOBPOLBMAPT
SCHEMBL16391122 0.77 PIN1 (0.51) PIN1RAB9AMAOBPOLBMAPT
SCHEMBL8150991 0.77 F10 (0.68) F10MAOBPOLBHSP90AA1MAPT
SCHEMBL9946937 0.74 EGFR (0.66) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2022-07-14 US disclosed
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2020-09-03 US disclosed
US-10434101-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2019-10-08 US disclosed
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 US disclosed
US-9375431-B2 2,4-disubstituted pyrimidine compounds useful as kinase inhibtors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-28 US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 US disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 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 (6 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-10434101-B2 Heterocyclic compounds and uses thereof ABCG2, CYP3A5, CYP3A43 F10 2171/4885PIN1 90/4885RAB9A 1642/4885
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 F10 2171/4885PIN1 90/4885RAB9A 1642/4885
US-20220218704-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 F10 2171/4885PIN1 90/4885RAB9A 1642/4885
US-20200276194-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 F10 2171/4885PIN1 90/4885RAB9A 1642/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 F10 2171/4885PIN1 90/4885RAB9A 1642/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 F10 2171/4885PIN1 90/4885RAB9A 1642/4885

“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.