SCHEMBL2130199

SCHEMBL2130199

[2H]C([2H])([2H])N(C/C=C/C(=O)Nc1cc2c(Nc3ccc(NC(=O)Nc4ccccn4)c(Cl)c3)ncnc2cc1OCC)C([2H])([2H])[2H]

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.63
ERBB2 P04626 11/20 0.63
ERBB4 Q15303 2/20 0.57
JAK3 P52333 1/20 0.57
KDR P35968 1/20 0.55

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
SCHEMBL2133444 0.91 EGFR (0.65) EGFRERBB2ERBB4JAK3KDR
SCHEMBL2130502 0.87 EGFR (0.82) EGFRERBB2ERBB4JAK3KDR
SCHEMBL2129849 0.86 EGFR (0.71) EGFRERBB2ERBB4JAK3KDR
SCHEMBL2132142 0.85 EGFR (0.83) EGFRERBB2ERBB4JAK3KDR
SCHEMBL19639014 0.81 EGFR (0.87) EGFRERBB2ERBB4JAK3
SCHEMBL30101593 0.81 EGFR (0.87) EGFRERBB2ERBB4JAK3
SCHEMBL2131418 0.81 EGFR (0.82) EGFRERBB2ERBB4JAK3KDR
SCHEMBL2129795 0.81 EGFR (0.77) EGFRERBB2ERBB4JAK3KDR
SCHEMBL2129802 0.80 EGFR (0.92) EGFRERBB2KDR
SCHEMBL2130438 0.80 EGFR (0.67) EGFRERBB2ERBB4JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445885-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF Medolution Limited (CN) 2012-05-02 EP claimed
US-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MEDOLUTION LIMITED (US) 2012-04-26 US claimed
WO-2010151710-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF MEDOLUTION LIMITED (CN) 2010-12-29 WO claimed
US-8748453-B2 Substituted heterocyclic compounds as kinases inhibitors and methods of use thereof MEDOLUTION LIMITED (HK) 2014-06-10 US disclosed
US-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MEDOLUTION LIMITED (US) 2012-04-26 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 (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-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MAP4K2, MAP3K7, MAP3K1 EGFR 1263/4885ERBB2 464/4885ERBB4 615/4885

“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.