SCHEMBL3325224

SCHEMBL3325224

NCc1scnc1-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(F)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.54
ERBB2 P04626 17/20 0.54
ABL1 P00519 9/20 0.54
INSR P06213 9/20 0.54
PDGFRB P09619 9/20 0.54
CDK2 P24941 9/20 0.54
PLK1 P53350 9/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
GAK O14976 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL5417331 0.84 EGFR (0.63) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3320475 0.82 EGFR (0.72) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4720051 0.79 EGFR (0.60) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL8138833 0.78 EGFR (0.64) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3321388 0.76 EGFR (0.59) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3326173 0.76 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3322768 0.76 EGFR (0.63) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4717905 0.75 EGFR (0.70) EGFRERBB2GAKERBB4
SCHEMBL3323096 0.75 EGFR (0.59) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL4009625 0.75 EGFR (0.72) EGFRERBB2ABL1INSRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513262-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-08-20 US disclosed
US-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2010-05-13 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-20100120804-A1 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors ABL1, ERBB2, CDK2 EGFR 69/4885ERBB2 2/4885ABL1 1/4885

“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.