SCHEMBL3513162

SCHEMBL3513162

C[C@@H](CO)Oc1ccc(N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.40
ALDH1A1 P00352 3/20 0.40
EGFR P00533 3/20 0.39
ITK Q08881 1/20 0.39
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38
TRPV3 Q8NET8 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 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
SCHEMBL2356555 1.00 GAA (0.40) GAAALDH1A1EGFRITKALOX5AP
SCHEMBL2348908 1.00 GAA (0.40) GAAALDH1A1EGFRITKALOX5AP
SCHEMBL9544993 0.83 MEN1 (0.48) EGFRITKALOX5APFEN1TRPV3
SCHEMBL15672725 0.81 MRGPRX4 (0.40) ALDH1A1EGFRITKALOX5APFEN1
SCHEMBL15672721 0.81 MRGPRX4 (0.40) ALDH1A1EGFRITKALOX5APFEN1
SCHEMBL2229809 0.80 ALDH1A1 (0.42) GAAALDH1A1ALOX5APFEN1TRPV3
SCHEMBL24486505 0.80 PPARG (0.37) GAAEGFRITKTRPV3MAPT
SCHEMBL24486489 0.80 PPARG (0.37) GAAEGFRITKTRPV3MAPT
SCHEMBL13498440 0.79 ALOX5 (0.42) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL25693050 0.79 ALDH1A1 (0.41) GAAALDH1A1MAPTMEN1KMT2A

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
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
EP-2519235-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-11-21 EP disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-20140213574-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-07-31 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8338439-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-25 US disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US 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 (8 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-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GAA 172/4885ALDH1A1 684/4885EGFR 1981/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK GAA 3189/4885ALDH1A1 2583/4885EGFR 460/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GAA 172/4885ALDH1A1 684/4885EGFR 1981/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK GAA 3189/4885ALDH1A1 2583/4885EGFR 460/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GAA 172/4885ALDH1A1 684/4885EGFR 1981/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK GAA 3189/4885ALDH1A1 2583/4885EGFR 460/4885
US-20140213574-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GAA 172/4885ALDH1A1 684/4885EGFR 1981/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 GAA 172/4885ALDH1A1 684/4885EGFR 1981/4885

“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.