SCHEMBL4308766

SCHEMBL4308766

Cc1cccnc1CNc1cc2c(=O)c3cc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cnc3ccc2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.43
RIPK1 Q13546 1/20 0.42
SYK P43405 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
KCNH2 Q12809 1/20 0.41
MET P08581 8/20 0.41
MAP3K11 Q16584 1/20 0.40
MST1R Q04912 3/20 0.39
FASN P49327 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
FECH P22830 1/20 0.38
CDK6 Q00534 2/20 0.38
ALK Q9UM73 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4313284 0.92 MET (0.44) RIPK1METMST1RCCNT1CDK9
SCHEMBL5067593 0.83 MET (0.39) MTORMETMST1RCYP3A4CYP2D6
SCHEMBL4308952 0.82 MET (0.57) KCNH2METMST1RCYP3A4CYP2D6
SCHEMBL13859978 0.79 PDE10A (0.40) KCNH2METMAP3K11MST1RCYP3A4
SCHEMBL4312490 0.76 MET (0.45) METMST1RCYP3A4CYP2D6CYP2C9
SCHEMBL2449126 0.75 MET (0.47) KCNH2MET
SCHEMBL2445891 0.73 MET (0.49) KCNH2METMST1R
SCHEMBL2443780 0.72 CCND3 (0.43) KCNH2METCDK6ALKCDK9
SCHEMBL2448783 0.72 MET (0.67) KCNH2METMST1RCYP3A4CYP2D6
SCHEMBL2447543 0.72 MET (0.44) KCNH2METMST1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US claimed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
EP-1951252-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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 (1 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-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET MTOR 235/4885RIPK1 800/4885SYK 45/4885

“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.