SCHEMBL9883172

SCHEMBL9883172

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(C)c3)c2cc1NC(=O)/C=C/CN(C)C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.87
EGFR P00533 18/20 0.87
SRC P12931 2/20 0.87
KDR P35968 2/20 0.87
STK4 Q13043 2/20 0.87
STK25 O00506 1/20 0.87
MAP2K7 O14733 1/20 0.87
CHEK1 O14757 1/20 0.87
GAK O14976 1/20 0.87
EPHB6 O15197 1/20 0.87
ABCC4 O15439 1/20 0.87
MAP3K13 O43283 1/20 0.87
NUAK1 O60285 1/20 0.87
STK17B O94768 1/20 0.87
STK10 O94804 1/20 0.87
PRKD3 O94806 1/20 0.87
ABCB11 O95342 1/20 0.87
MAP4K4 O95819 1/20 0.87
CHEK2 O96017 1/20 0.87
ABL1 P00519 1/20 0.87

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
SCHEMBL2129397 0.96 EGFR (0.84) ERBB2EGFRSRCKDRSTK4
SCHEMBL24037452 0.95 ERBB2 (0.89) ERBB2EGFRSRCKDRSTK4
SCHEMBL2130964 0.93 ERBB2 (0.86) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL15163655 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL571762 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL29394766 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL571763 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL15163654 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL29801657 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4
Neratinib SCHEMBL29376313 0.93 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK4

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
US-20230175069-A1 COMPOSITIONS AND METHODS FOR DETECTING GENE FUSIONS OF ESR1 AND CCDC170 FOR DETERMINING INCREASED RESISTANCE TO ENDOCRINE THERAPY AND FOR CANCER TREATMENT UNITED STATES GOVERNMENT 2023-06-08 US disclosed
EP-3488866-A1 ANTINEOPLASTIC COMBINATIONS WITH MTOR INHIBITOR, HERCEPTIN, AND/OR HKI-272 Wyeth LLC (US) 2019-05-29 EP disclosed
US-8188102-B2 Amide derivative for inhibiting the growth of cancer cells HANMI HOLDINGS CO., LTD. (KR) 2012-05-29 US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 US disclosed
US-20100179120-A1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2010-07-15 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 (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-20100179120-A1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS EGFR, ERBB2, ERBB3 ERBB2 2/4885EGFR 1/4885SRC 20/4885
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K ERBB2 7/4885EGFR 48/4885SRC 176/4885
US-20230175069-A1 COMPOSITIONS AND METHODS FOR DETECTING GENE FUSIONS OF ESR1 AND CCDC170 FOR DETERMINING INCREASED RESISTANCE TO ENDOCRINE THERAPY AND FOR CANCER TREATMENT ESR1, CCDC22, CCDC6 ERBB2 711/4885EGFR 722/4885SRC 2378/4885

“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.