SCHEMBL2228542

SCHEMBL2228542

Nc1cccc(OCC(O)CO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
MAPK1 P28482 1/20 0.66
CYP3A4 P08684 3/20 0.53
TP53 P04637 1/20 0.53
PIK3CG P48736 1/20 0.51
HIF1A Q16665 1/20 0.49
MAOB P27338 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ACE2 Q9BYF1 1/20 0.45
CYP1A2 P05177 2/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK14 Q16539 2/20 0.44
GAK O14976 1/20 0.44
LCK P06239 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL11234446 0.91 CYP3A4 (0.58) TSHRMAPK1CYP3A4TP53HIF1A
SCHEMBL3671328 0.87 MAPK1 (0.83) TSHRMAPK1TP53PIK3CGHIF1A
SCHEMBL4334251 0.85 CYP3A4 (0.61) TSHRMAPK1CYP3A4TP53HIF1A
SCHEMBL14497405 0.83 CYP3A4 (0.54) TSHRMAPK1CYP3A4TP53HIF1A
SCHEMBL7870926 0.83 TSHR (0.51) TSHRMAPK1CYP3A4TP53HIF1A
SCHEMBL10633116 0.82 TSHR (0.54) TSHRMAPK1PIK3CGHIF1ASMN1; SMN2
SCHEMBL2059732 0.81 TSHR (0.68) TSHRMAPK1PIK3CGHIF1ASMN1; SMN2
SCHEMBL10635987 0.81 LMNA (0.61) TSHRMAPK1CYP3A4TP53HIF1A
SCHEMBL14896741 0.79 TSHR (0.71) TSHRMAPK1HIF1ASMN1; SMN2KDM4E
SCHEMBL16002431 0.79 TSHR (0.71) TSHRMAPK1HIF1ASMN1; SMN2KDM4E

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 34 patents — showing the first 20. 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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
EP-2519235-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-11-21 EP disclosed
EP-2361248-B1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2018-09-19 EP disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
EP-2519235-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
EP-2361248-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2011-08-31 EP disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO 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
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed
WO-2003026665-A1 2-PHENYLAMINO-4-(5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, SRC KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885MAPK1 4884/4885CYP3A4 6/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885MAPK1 4884/4885CYP3A4 6/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TSHR 3159/4885MAPK1 234/4885CYP3A4 2948/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885MAPK1 4884/4885CYP3A4 6/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TSHR 3159/4885MAPK1 234/4885CYP3A4 2948/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 TSHR 3113/4885MAPK1 106/4885CYP3A4 2660/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885MAPK1 4884/4885CYP3A4 6/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TSHR 3159/4885MAPK1 234/4885CYP3A4 2948/4885

“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.