SCHEMBL2961360

SCHEMBL2961360

CCNC(=O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
NTRK1 P04629 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL2975969 0.92 GPR132 (0.43) HPGDALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2975296 0.91 RIPK1 (0.47) HPGDALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2970729 0.91 HPGD (0.47) HPGDALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2973781 0.89 ALOX5 (0.47) HPGDALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL13202025 0.89 MRGPRX4 (0.53) HPGDSMN1; SMN2MRGPRX4CYP19A1CYP11B1
SCHEMBL2975358 0.87 MRGPRX4 (0.51) HPGDMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL4068787 0.87 MRGPRX4 (0.40) HPGDALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2964769 0.86 SMN1; SMN2 (0.53) HPGDALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2976410 0.86 HPGD (0.45) HPGDKCNH2EPHX2
SCHEMBL2962847 0.85 HPGD (0.47) HPGDKCNH2EPHX2

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
US-7767673-B2 N-substituted imidazopyridine c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-08-03 US claimed
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 EP claimed
US-20090062275-A1 N-Substituted Imidazopyridine c-Kit Inhibitors OSI PHARMACEUTICALS, INC. 2009-03-05 US claimed
US-20080221153-A9 N3-SUBSTITUTED IMIDAZOPYRIDINE C-KIT INHIBITORS CASTELHANO ARLINDO L 2008-09-11 US claimed
US-20060035921-A1 N3-substituted imidazopyridine c-Kit inhibitors CASTELHANO ARLINDO L 2006-02-16 US claimed
US-7767673-B2 N-substituted imidazopyridine c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 EP disclosed
US-20090062275-A1 N-Substituted Imidazopyridine c-Kit Inhibitors OSI PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-7442709-B2 N3-substituted imidazopyridine c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2008-10-28 US disclosed
US-20080221153-A9 N3-SUBSTITUTED IMIDAZOPYRIDINE C-KIT INHIBITORS CASTELHANO ARLINDO L 2008-09-11 US disclosed
EP-1658289-A2 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-05-24 EP disclosed
US-20060035921-A1 N3-substituted imidazopyridine c-Kit inhibitors CASTELHANO ARLINDO L 2006-02-16 US disclosed
WO-2005021544-A2 N3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 WO 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 (3 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-20090062275-A1 N-Substituted Imidazopyridine c-Kit Inhibitors KIT, ABL1, CHUK HPGD 666/4885ALDH1A1 379/4885CYP2C9 735/4885
US-20080221153-A9 N3-SUBSTITUTED IMIDAZOPYRIDINE C-KIT INHIBITORS KIT, ABL1, CHUK HPGD 1281/4885ALDH1A1 520/4885CYP2C9 1017/4885
US-20060035921-A1 N3-substituted imidazopyridine c-Kit inhibitors KIT, ABL1, CHUK HPGD 1281/4885ALDH1A1 520/4885CYP2C9 1017/4885

“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.