SCHEMBL4206642

SCHEMBL4206642

Cc1ccccc1Cc1nc2c(Cl)ncnc2s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.46
ADORA2A P29274 9/20 0.46
ADORA1 P30542 5/20 0.41
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
LTA4H P09960 1/20 0.34
MAP4K4 O95819 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
GPR52 Q9Y2T5 1/20 0.33

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
SCHEMBL4200821 0.86 ADORA3 (0.48) ADORA3ADORA2AADORA1MAPTKMT2A
SCHEMBL4205529 0.85 ADORA3 (0.45) ADORA3ADORA2AADORA1MKNK1
SCHEMBL4206720 0.84 ADORA3 (0.46) ADORA3ADORA2AADORA1MKNK1
SCHEMBL4217559 0.84 USP2 (0.35) ADORA3ADORA2AUSP2MEN1MAPT
SCHEMBL4216788 0.81 ADORA3 (0.43) ADORA3ADORA2AADORA1LTA4H
SCHEMBL3241252 0.80 ADORA3 (0.54) ADORA3ADORA2AADORA1MKNK1
SCHEMBL3111540 0.76 ADORA3 (0.49) ADORA3ADORA2AADORA1
SCHEMBL4207248 0.76 ALDH1A1 (0.48) ADORA3ADORA2AADORA1MAPT
SCHEMBL13375705 0.75 MKNK1 (0.48) MAPTMKNK1
SCHEMBL16593550 0.75 SELE (0.47) ADORA3ADORA2AADORA1MKNK1

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 22 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-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
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
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (US) 2014-04-17 US disclosed
US-8637527-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
US-20130005687-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 BRANSTETTER BRYAN JAMES (US) 2013-01-03 US disclosed
US-20130005687-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 BRANSTETTER BRYAN JAMES (US) 2013-01-03 US disclosed
US-20130005687-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 BRANSTETTER BRYAN JAMES (US) 2013-01-03 US disclosed
US-8288397-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2012-10-16 US disclosed
US-8288397-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2012-10-16 US disclosed
US-8288397-B2 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2012-10-16 US 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
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 (4 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-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 ADORA3 584/4885ADORA2A 778/4885ADORA1 642/4885
US-20130005687-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 ADORA3 584/4885ADORA2A 778/4885ADORA1 642/4885
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 ADORA3 584/4885ADORA2A 778/4885ADORA1 642/4885
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV4 ADORA3 584/4885ADORA2A 778/4885ADORA1 642/4885

“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.