SCHEMBL528239

SCHEMBL528239

CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)C(N)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.52
RORC P51449 7/20 0.52
MAPT P10636 1/20 0.47
P2RY14 Q15391 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
STS P08842 1/20 0.44
RPS6KB1 P23443 1/20 0.43
TGFBR1 P36897 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL528345 0.89 RORC (0.61) TACR1RORCMAPTP2RY14GPR119
SCHEMBL15194668 0.88 HDAC1 (0.51) TACR1RORCGPR119PDE4B
SCHEMBL4886021 0.87 TACR1 (0.53) TACR1RORCMAPTP2RY14GPR119
SCHEMBL4727085 0.87 TACR1 (0.53) TACR1RORCMAPTP2RY14GPR119
SCHEMBL528144 0.87 TACR1 (0.54) TACR1RORCMAPTGPR119STS
SCHEMBL528081 0.86 STS (0.50) STSPDE4B
SCHEMBL15197029 0.86 STS (0.50) STSPDE4B
SCHEMBL527927 0.85 TACR1 (0.53) TACR1RORCGPR119STS
SCHEMBL2247001 0.85 TACR1 (0.53) TACR1RORCGPR119STS
SCHEMBL2244924 0.85 TACR1 (0.53) TACR1RORCGPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793254-B Azaquinazoline carboxamide derivatives 默克专利有限公司 2020-10-23 CN disclosed
EP-2925747-B1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-24 EP disclosed
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2019-03-19 US disclosed
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-23 US disclosed
US-9981925-B2 Substituted benzo[d][1,2,3]triazines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2018-05-29 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
US-9440968-B2 Substituted pyrido[3,2-d]pyrimidines for treating cancer MERCK PATENT GMBH (DE) 2016-09-13 US disclosed
EP-2925747-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-10-07 EP disclosed
US-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014085528-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
EP-2598497-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
WO-2012016001-A1 CYCLIC AMINE AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2012-02-02 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 (7 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-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 TACR1 4725/4885RORC 2635/4885MAPT 4389/4885
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885RORC 1474/4885MAPT 4466/4885
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 TACR1 4725/4885RORC 2635/4885MAPT 4389/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885RORC 1474/4885MAPT 4466/4885
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 TACR1 4725/4885RORC 2635/4885MAPT 4389/4885
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors CDK4, CDK2, RPS6KA4 TACR1 4460/4885RORC 2090/4885MAPT 4095/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA TACR1 3511/4885RORC 1474/4885MAPT 4466/4885

“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.