SCHEMBL769494

SCHEMBL769494

Nc1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
TTBK1 Q5TCY1 1/20 0.49
TRPV1 Q8NER1 11/20 0.48
CNR1 P21554 1/20 0.48
FLT3 P36888 1/20 0.46
EPHX2 P34913 1/20 0.44
DHODH Q02127 1/20 0.42

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
Hydrochloric Acid SCHEMBL4203714 0.98 EGFR (0.53) EGFRTTBK1TRPV1CNR1FLT3
SCHEMBL17815581 0.83 EGFR (0.49) EGFRTTBK1
SCHEMBL1896427 0.82 TTBK1 (0.55) EGFRTTBK1
SCHEMBL6033642 0.82 DHODH (0.56) EGFRTTBK1TRPV1CNR1FLT3
SCHEMBL17815587 0.80 GALR3 (0.58) EGFRTTBK1TRPV1
SCHEMBL6034099 0.79 TRPV1 (0.47) EGFRTTBK1TRPV1CNR1FLT3
SCHEMBL1898192 0.79 EGFR (0.53) EGFRTTBK1
SCHEMBL6473517 0.78 CNR1 (0.48) EGFRTTBK1TRPV1CNR1FLT3
SCHEMBL29438983 0.77 EGFR (0.56) EGFRTTBK1TRPV1CNR1FLT3
SCHEMBL6252004 0.76 CA1 (0.65) EGFRTTBK1TRPV1CNR1FLT3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-12-29 US disclosed
US-9440978-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-09-13 US disclosed
US-9440978-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-09-13 US disclosed
EP-2224929-B1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-05-04 EP disclosed
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (US) 2014-04-17 US disclosed
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (US) 2014-04-17 US disclosed
EP-2398778-B1 AMINOPYRIDINEAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed
EP-2398778-B1 AMINOPYRIDINEAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed
US-8637527-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
US-8637527-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
EP-2398778-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2011-12-28 EP disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
US-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (US) 2010-11-25 US disclosed
WO-2010094406-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2010094406-A1 AMINOPYRIMIDINAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2009078999-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US 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 (5 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-20100298267-A1 AMINOPYRIMIDINAMIDES AS PESTICIDES DDT, NPEPPS, PTMS EGFR 4629/4885TTBK1 2464/4885TRPV1 1493/4885
US-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 EGFR 2036/4885TTBK1 1556/4885TRPV1 1/4885
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 EGFR 2036/4885TTBK1 1556/4885TRPV1 1/4885
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV4 EGFR 2036/4885TTBK1 1556/4885TRPV1 1/4885
US-20120071496-A1 Aminopyrimidinamides As Pest Control Agents NPEPPS, DDT, DNPEP EGFR 4321/4885TTBK1 1824/4885TRPV1 2680/4885

“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.