SCHEMBL266030

SCHEMBL266030

Cc1cnc(Cl)nc1-c1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPY5R Q15761 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL29520358 0.84 RPS6KA5 (0.48) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL199273 0.77 PLAU (0.60) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL29923403 0.77 PLAU (0.60) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL30522769 0.75 PLAU (0.58) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL270903 0.75 EGFR (0.45) CYP2A6KDM4EMAPTCYP3A4ALDH1A1
SCHEMBL2348873 0.73 KDM4E (0.52) KDM4ERAB9AMAPTALDH1A1CYP2C19
SCHEMBL4540085 0.72 KDM4E (0.54) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL3648742 0.71 CYP2A6 (0.55) CYP2A6KDM4ENPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3320131 0.70 CYP2A6 (0.53) CYP2A6KDM4ENPC1RAB9AMAPT
SCHEMBL15780759 0.70 CYP2A6 (0.53) CYP2A6KDM4ENPC1RAB9AMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
CN-101370792-B Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2013-03-20 CN disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK CYP2A6 2691/4885KDM4E 1356/4885NPC1 3924/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP2A6 1775/4885KDM4E 1689/4885NPC1 4069/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CYP2A6 1775/4885KDM4E 1689/4885NPC1 4069/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 CYP2A6 1775/4885KDM4E 1689/4885NPC1 4069/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 CYP2A6 1775/4885KDM4E 1689/4885NPC1 4069/4885

“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.