SCHEMBL10127751

SCHEMBL10127751

C=CC(=O)Nc1cccc(Nc2nc(N(C)C3CCN(C)CC3)nc3c2ncn3-c2cccc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
SRC P12931 1/20 0.46
TEC P42680 1/20 0.46
SLK Q9H2G2 1/20 0.46
BTK Q06187 11/20 0.46
JAK3 P52333 7/20 0.46
ABL1 P00519 2/20 0.42
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
ITK Q08881 2/20 0.40

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
SCHEMBL10155224 0.95 BTK (0.46) EGFRSRCTECSLKBTK
SCHEMBL10127756 0.89 ABL1 (0.42) EGFRBTKABL1CCNT1CCNE1
SCHEMBL18001127 0.71 BTK (0.56) EGFRBTKJAK3
SCHEMBL3597523 0.70 CSNK1D (0.48) BTKABL1CSNK1DCSNK1E
SCHEMBL18000944 0.70 BTK (0.46) EGFRBTKJAK3
SCHEMBL17144062 0.69 BTK (0.67) EGFRSRCTECSLKBTK
SCHEMBL17143912 0.68 BTK (0.61) EGFRSRCTECSLKBTK
SCHEMBL17144315 0.68 BTK (0.60) EGFRSRCTECSLKBTK
SCHEMBL18002138 0.68 BTK (0.40) EGFRSRCTECSLKBTK
SCHEMBL18000646 0.68 MAP3K7 (0.51) EGFRBTKJAK3

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-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 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 (2 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885SRC 54/4885TEC 149/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885SRC 54/4885TEC 149/4885

“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.