SCHEMBL13725856

SCHEMBL13725856

COCCN(C)c1ccc(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.45
ADK P55263 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ADRA1A P35348 1/20 0.40
HCAR3 P49019 1/20 0.40
AOC3 Q16853 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALOX5AP P20292 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
NLRP3 Q96P20 1/20 0.36
EGFR P00533 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
SCHEMBL5253357 0.81 GBA1 (0.50) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
SCHEMBL701733 0.81 ADK (0.47) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
SCHEMBL13103012 0.80 HRH3 (0.47) HSP90AA1HSP90AB1HCAR3AOC3CCR1
SCHEMBL13185264 0.80 DGAT1 (0.43) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
Hydrochloric Acid SCHEMBL3137268 0.80 ADK (0.46) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
SCHEMBL20376415 0.79 HCAR3 (0.48) HCAR3AOC3KDM4ELMNA
SCHEMBL17693915 0.79 TRPV1 (0.44) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
SCHEMBL18743514 0.79 DGAT1 (0.43) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
SCHEMBL13165236 0.79 TRPV1 (0.44) DGAT1ADKHSP90AA1HSP90AB1ADRA1A
SCHEMBL18693771 0.79 DGAT1 (0.43) DGAT1ADKHSP90AA1HSP90AB1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
WO-2019051265-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-03-14 WO disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DGAT1 2168/4885ADK 2263/4885HSP90AA1 4125/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 DGAT1 4677/4885ADK 98/4885HSP90AA1 2852/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 DGAT1 4736/4885ADK 4155/4885HSP90AA1 4720/4885
US-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 DGAT1 3844/4885ADK 2446/4885HSP90AA1 3464/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DGAT1 2168/4885ADK 2263/4885HSP90AA1 4125/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 DGAT1 2168/4885ADK 2263/4885HSP90AA1 4125/4885

“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.