SCHEMBL10155136

SCHEMBL10155136

C=CC(=O)Nc1ccc(Nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.77
L3MBTL1 Q9Y468 1/20 0.66
MAP3K7 O43318 5/20 0.65
MAP2K1 Q02750 4/20 0.65
FLT3 P36888 1/20 0.63
BLK P51451 1/20 0.63
JAK3 P52333 5/20 0.62
JAK2 O60674 3/20 0.62
JAK1 P23458 2/20 0.62
TYK2 P29597 1/20 0.62
MAPK1 P28482 2/20 0.60
FGFR1 P11362 1/20 0.60
SRC P12931 1/20 0.60
BTK Q06187 2/20 0.59
BRD4 O60885 1/20 0.57

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
SCHEMBL10127802 0.93 EGFR (0.87) EGFRMAP3K7MAP2K1FLT3BLK
SCHEMBL17059685 0.87 EGFR (1.00) EGFRFLT3BLKJAK3JAK2
SCHEMBL13169820 0.85 EGFR (0.63) EGFRL3MBTL1MAP3K7MAP2K1FLT3
SCHEMBL10155231 0.85 L3MBTL1 (0.89) EGFRL3MBTL1MAP3K7MAP2K1FLT3
SCHEMBL28980990 0.83 SRC (0.69) EGFRMAP3K7MAP2K1FLT3BLK
SCHEMBL28980965 0.83 MAP3K7 (0.81) EGFRMAP3K7MAP2K1FLT3BLK
SCHEMBL10361955 0.82 JAK3 (0.61) EGFRMAP3K7MAP2K1FLT3BLK
SCHEMBL28980992 0.82 BRD4 (0.72) EGFRL3MBTL1MAP3K7MAP2K1FLT3
SCHEMBL28980985 0.81 MAP3K7 (0.71) EGFRMAP3K7MAP2K1FLT3BLK
SCHEMBL10127782 0.80 MAP3K7 (0.75) EGFRMAP3K7MAP2K1FLT3BLK

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 3 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-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 1/4885L3MBTL1 4418/4885MAP3K7 121/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885L3MBTL1 4418/4885MAP3K7 121/4885

“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.