SCHEMBL2129369

SCHEMBL2129369

[2H]C([2H])([2H])N(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCC

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.83
ERBB2 P04626 13/20 0.83
ERBB4 Q15303 4/20 0.76
JAK3 P52333 3/20 0.76
KDR P35968 1/20 0.69

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
SCHEMBL2131418 0.98 EGFR (0.82) EGFRERBB2ERBB4JAK3KDR
SCHEMBL17538502 0.91 EGFR (1.00) EGFRERBB2ERBB4JAK3
SCHEMBL19283327 0.91 EGFR (1.00) EGFRERBB2ERBB4JAK3
SCHEMBL2129464 0.91 EGFR (0.81) EGFRERBB2ERBB4JAK3
SCHEMBL2544071 0.91 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL2508012 0.91 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL2510049 0.90 EGFR (0.83) EGFRERBB2ERBB4JAK3
SCHEMBL17498548 0.90 EGFR (0.81) EGFRERBB2ERBB4JAK3KDR
SCHEMBL17498545 0.90 EGFR (0.81) EGFRERBB2ERBB4JAK3KDR
SCHEMBL2512053 0.90 EGFR (0.81) 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 7 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
EP-2445885-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF Medolution Limited (CN) 2012-05-02 EP disclosed
US-20120101116-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHODS OF USE THEREOF MEDOLUTION LIMITED (US) 2012-04-26 US disclosed
WO-2010151710-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS KINASES INHIBITORS AND METHOD OF USE THEREOF MEDOLUTION LIMITED (CN) 2010-12-29 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-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.