SCHEMBL2229162

SCHEMBL2229162

CC(C)(CO)Oc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 6/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.41
TEAD4 Q15561 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 3/20 0.36
ABL1 P00519 1/20 0.36
MAOA P21397 1/20 0.35
NR4A1 P22736 1/20 0.35

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
SCHEMBL11832690 0.94 TDP1 (0.41) ALDH1A1MAPTNPC1MAPK1RAB9A
Hydrochloric Acid SCHEMBL11831709 0.93 TDP1 (0.41) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL23963316 0.81 TAAR1 (0.53) ALDH1A1TDP1PPARAPPARG
SCHEMBL1888745 0.81 MEN1 (0.50) ALDH1A1HPGDTSHRCYP3A4PPARA
SCHEMBL15458088 0.81 MAPT (0.53) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL13460970 0.81 ACHE (0.41) ALDH1A1MAPTTDP1TSHRCYP3A4
SCHEMBL987495 0.79 PPARA (0.53) ALDH1A1MAPTMAPK1HPGDTDP1
SCHEMBL9765846 0.79 SMN1; SMN2 (0.47) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL1892567 0.79 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1RAB9APPARA
SCHEMBL16585297 0.79 PPARA (0.38) PPARAPPARGABL1

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 41 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
CN-108047142-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2021-08-03 CN disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 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
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-20130065879-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 ALDH1A1 684/4885MAPT 1888/4885NPC1 48/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885MAPT 1888/4885NPC1 48/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885MAPT 470/4885NPC1 4398/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885MAPT 3269/4885NPC1 3346/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885MAPT 1888/4885NPC1 48/4885
US-20130065879-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885MAPT 1888/4885NPC1 48/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 ALDH1A1 1989/4885MAPT 2723/4885NPC1 4118/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885MAPT 1888/4885NPC1 48/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885MAPT 438/4885NPC1 4434/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885MAPT 3269/4885NPC1 3346/4885

“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.