SCHEMBL4207248

SCHEMBL4207248

Clc1ccc(Cc2nc3c(Cl)ncnc3s2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ADORA3 P0DMS8 7/20 0.46
ADORA2A P29274 7/20 0.46
ADORA1 P30542 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90B1 P14625 1/20 0.37
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4204007 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTHSP90B1IDO1
SCHEMBL4200821 0.83 ADORA3 (0.48) ALDH1A1ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL4208378 0.80 ADORA3 (0.54) ALDH1A1ADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL4205902 0.78 ADORA3 (0.43) ADORA3ADORA2AADORA1CYP3A4IDO1
SCHEMBL3111540 0.76 ADORA3 (0.49) ADORA3ADORA2AADORA1
SCHEMBL4213810 0.76 TRPV1 (0.57)
SCHEMBL4206642 0.76 ADORA3 (0.46) ADORA3ADORA2AADORA1MAPT
SCHEMBL4206720 0.76 ADORA3 (0.46) ADORA3ADORA2AADORA1IDO1
SCHEMBL3241252 0.74 ADORA3 (0.54) ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4202674 0.74 TRPV1 (0.59)

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 ALDH1A1 2643/4885ADORA3 584/4885ADORA2A 778/4885
US-20130005687-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 ALDH1A1 2643/4885ADORA3 584/4885ADORA2A 778/4885
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 ALDH1A1 2643/4885ADORA3 584/4885ADORA2A 778/4885
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV4 ALDH1A1 2643/4885ADORA3 584/4885ADORA2A 778/4885

“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.