SCHEMBL528144

SCHEMBL528144

CC(C)(C)OC(=O)N1CCC(c2cccc(C(F)(F)F)c2)C(N)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.54
NOTCH1 P46531 1/20 0.48
RPS6KB1 P23443 1/20 0.47
AKT1 P31749 1/20 0.47
RORC P51449 1/20 0.46
STS P08842 2/20 0.44
TGFBR1 P36897 1/20 0.42
SCN9A Q15858 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
USP30 Q70CQ3 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL528336 0.90 RORC (0.54) TACR1NOTCH1RPS6KB1AKT1RORC
SCHEMBL528373 0.87 GPR119 (0.48) TACR1RPS6KB1RORCGPR119USP30
SCHEMBL528239 0.87 TACR1 (0.52) TACR1RPS6KB1RORCSTSTGFBR1
SCHEMBL528604 0.86 GPR119 (0.55) TACR1RORCSTSGPR119USP30
SCHEMBL528218 0.85 TACR1 (0.49) TACR1RORCSTS
SCHEMBL12505243 0.84 RPS6KB1 (0.51) RPS6KB1AKT1HTR2AHTR2CHTR2B
SCHEMBL2244924 0.84 TACR1 (0.53) TACR1RORCSTSGPR119USP30
SCHEMBL2247001 0.84 TACR1 (0.53) TACR1RORCSTSGPR119USP30
SCHEMBL527927 0.84 TACR1 (0.53) TACR1RORCSTSGPR119USP30
SCHEMBL13434401 0.84 TACR1 (0.53) TACR1RORCSTSGPR119USP30

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 24 patents — showing the first 20. 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-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 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
EP-2925747-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-10-07 EP disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 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
WO-2013096194-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-06-27 WO 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 (9 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 4725/4885NOTCH1 3442/4885RPS6KB1 16/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 TACR1 4806/4885NOTCH1 1613/4885RPS6KB1 210/4885
US-20130217709-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885NOTCH1 790/4885RPS6KB1 1117/4885
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 TACR1 4725/4885NOTCH1 3442/4885RPS6KB1 16/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 TACR1 4830/4885NOTCH1 1615/4885RPS6KB1 197/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA TACR1 3511/4885NOTCH1 790/4885RPS6KB1 1117/4885
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 TACR1 4725/4885NOTCH1 3442/4885RPS6KB1 16/4885
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors CDK4, CDK2, RPS6KA4 TACR1 4460/4885NOTCH1 3952/4885RPS6KB1 17/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA TACR1 3511/4885NOTCH1 790/4885RPS6KB1 1117/4885

“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.