SCHEMBL13733615

SCHEMBL13733615

CCOC(=O)c1ccc(N)c(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B2 P37059 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ALOX15 P16050 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SCN1A P35498 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
HIF1A Q16665 1/20 0.46
SCN2A Q99250 1/20 0.46

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
SCHEMBL16098092 0.89 CYP1A2 (0.51) CYP1A2LMNACYP3A4MAOAHSD17B2
SCHEMBL2033666 0.84 NOTUM (0.54) LMNACA12CA1CA2CA7
SCHEMBL31003812 0.84 NOTUM (0.54) LMNACA12CA1CA2CA7
SCHEMBL9996771 0.83 HSD17B2 (0.51) CYP1A2LMNACYP3A4MAOAHSD17B2
SCHEMBL16528199 0.83 HSD17B2 (0.51) CYP1A2LMNACYP3A4MAOAHSD17B2
Hydrochloric Acid SCHEMBL2241815 0.82 NOTUM (0.52) LMNACA12CA1CA2CA7
SCHEMBL15670215 0.82 CA12 (0.51) CYP1A2LMNACYP3A4MAOAHSD17B2
SCHEMBL1612538 0.82 HSD17B2 (0.69) CYP1A2LMNACYP3A4MAOAHSD17B2
SCHEMBL670443 0.82 CYP1A2 (0.57) CYP1A2LMNACYP3A4MAOAHSD17B2
SCHEMBL13537289 0.81 NPC1 (0.49) CYP1A2LMNACYP3A4MAOAHSD17B2

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
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-19 US disclosed
US-10189788-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20190002409-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-03 US disclosed
US-20170260140-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma Aktiengesekkschaft (DE) 2017-09-14 US disclosed
EP-3191452-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma Aktiengesellschaft (DE) 2017-07-19 EP disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
CN-103189373-B The Triazolopyridine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 CN disclosed
WO-2016037954-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-17 WO disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2699575-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
CN-103608350-A Triazolopyridine compounds BAYER IP GMBH 2014-02-26 CN disclosed
CN-103189373-A Substituted triazolopyridines BAYER IP GMBH 2013-07-03 CN disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 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 (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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR CYP1A2 215/4885LMNA 1474/4885CYP3A4 557/4885
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents AADAC, NFKBIA, NOD2 CYP1A2 879/4885LMNA 890/4885CYP3A4 1195/4885
US-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 CYP1A2 36/4885LMNA 1537/4885CYP3A4 112/4885
US-20170260140-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS AADAC, NFKBIA, NOD2 CYP1A2 879/4885LMNA 890/4885CYP3A4 1195/4885
US-20190002409-A1 SUBSTITUTED N,2-DIARYLQUINOLINE-4-CARBOXAMIDES AND THE USE THEREOF AS ANTI-INFLAMMATORY AGENTS AADAC, NFKBIA, NOD2 CYP1A2 879/4885LMNA 890/4885CYP3A4 1195/4885
US-10189788-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents AADAC, NFKBIA, NOD2 CYP1A2 879/4885LMNA 890/4885CYP3A4 1195/4885

“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.