SCHEMBL4211528

SCHEMBL4211528

O=C(Cc1ccccc1I)Nc1c(Cl)ncnc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPK8 P45983 2/20 0.47
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNJ5 P48544 3/20 0.39
KCNJ3 P48549 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GLS O94925 1/20 0.37
F2 P00734 1/20 0.37
F12 P00748 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNJ6 P48051 1/20 0.35

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
SCHEMBL4215163 0.85 NPC1 (0.54) MAPK8ALDH1A1NPC1RAB9AKCNJ5
SCHEMBL15449548 0.83 ALDH1A1 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19MAPK8
SCHEMBL4199236 0.83 NPC1 (0.52) MAPK8ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4199348 0.80 CSF1R (0.49) KCNJ5KCNJ3ANO1
SCHEMBL4203468 0.79 EPHX2 (0.54) ALDH1A1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13822124 0.77 KMT2A (0.43) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL13822123 0.75 MAPK8 (0.49) MAPK8ALDH1A1KMT2AMEN1ANO1
SCHEMBL3110192 0.75 RECQL (0.54) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL4200541 0.74 GALR3 (0.56) ALDH1A1RAB9AKCNJ5KCNJ3KMT2A
SCHEMBL7339416 0.73 CYP1A2 (0.70) CYP1A2CYP2D6CYP2C9CYP2C19MAPK8

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 25 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
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-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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP 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-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 CYP1A2 2748/4885CYP2D6 2706/4885CYP2C9 1161/4885
US-20130005687-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 CYP1A2 2748/4885CYP2D6 2706/4885CYP2C9 1161/4885
US-20140107098-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 CYP1A2 2748/4885CYP2D6 2706/4885CYP2C9 1161/4885
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R CYP1A2 1548/4885CYP2D6 1903/4885CYP2C9 3157/4885
US-20090156599-A1 Imidazolo-, oxazolo-, and thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV4 CYP1A2 2748/4885CYP2D6 2706/4885CYP2C9 1161/4885

“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.