SCHEMBL4710899

SCHEMBL4710899

COc1cc(CC#N)c(F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
APLNR P35414 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
IDO1 P14902 2/20 0.34
ADRA1A P35348 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL7811159 0.86 KDM4E (0.34) CYP1A2ALDH1A1HSD17B10CYP2C19GAA
SCHEMBL13091993 0.83 ACHE (0.39) ALDH1A1KDM4EHTT
SCHEMBL4713704 0.81 CYP1A2 (0.41) CYP1A2APLNRCA12CA1CA2
SCHEMBL4716537 0.79 CYP1A2 (0.40) CYP1A2APLNRCA12CA1CA2
SCHEMBL11854329 0.79 CALM1 (0.43) CYP1A2ALDH1A1HSD17B10CYP3A4KDM4E
SCHEMBL13085626 0.79 CYP1A2 (0.35) CYP1A2ALDH1A1KDM4EHTT
SCHEMBL15989504 0.77 ALDH1A1 (0.42) CYP1A2TAAR1IDO1ADRA1AALDH1A1
SCHEMBL16071799 0.77 CYP1A2 (0.43) CYP1A2APLNRCA12CA1CA2
SCHEMBL4405355 0.77 PDE4A (0.47) CYP1A2APLNRCA12CA1CA2
SCHEMBL31719057 0.77 CYP1A2 (0.43) CYP1A2APLNRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943087-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2022-01-26 EP disclosed
EP-2968337-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2021-07-21 EP disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 US disclosed
WO-2014144737-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-18 WO disclosed
EP-1307450-B1 2-(4-Pyridyl)amino-6-dialkoxyphenyl-pyrido(2,3-d)pyrimidin-7-ones WARNER LAMBERT CO (US) 2008-09-17 EP disclosed
US-7022711-B2 2-(4-Pyridyl)amino-6-dialkoxyphenyl-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2006-04-04 US disclosed
US-20030220345-A1 2-(4-Pyridyl)amino-6-dialkoxyphenyl-pyrido[2,3-d]pyrimdin-7-ones HAMBY JAMES MARINO (US) 2003-11-27 US disclosed
EP-1307450-A2 2-(4-PYRDYL)AMINO-6-DIALKOXYPHENYL-PYRIDO(2.3-D)PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY (US) 2003-05-07 EP disclosed
WO-2002012238-A2 2-(4-PYRIDYL)AMINO-6-DIALKOXYPHENYL-PYRIDO[2,3-d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY (US) 2002-02-14 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 (5 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CYP1A2 3803/4885APLNR 4486/4885CA12 4523/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CYP1A2 3803/4885APLNR 4486/4885CA12 4523/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK CYP1A2 3207/4885APLNR 4210/4885CA12 4884/4885
US-20030220345-A1 2-(4-Pyridyl)amino-6-dialkoxyphenyl-pyrido[2,3-d]pyrimdin-7-ones FLT1, FLT4, MKI67 CYP1A2 1269/4885APLNR 200/4885CA12 4798/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CYP1A2 3803/4885APLNR 4486/4885CA12 4523/4885

“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.