SCHEMBL18177583

SCHEMBL18177583

C=CS(=O)(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4cccc(F)c4)c(C)c3)ncn2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.55
ERBB2 P04626 15/20 0.55
SRC P12931 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CCNT1 O60563 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL690989 0.90 EGFR (0.65) EGFRERBB2
SCHEMBL13857428 0.84 EGFR (0.67) EGFRERBB2
SCHEMBL691634 0.75 TNNI3K (0.59) EGFRSRCLRRK2CCNT1CDK9
SCHEMBL691623 0.74 EGFR (0.82) EGFRERBB2
SCHEMBL2203654 0.73 EGFR (0.47) EGFRERBB2SRCLRRK2
SCHEMBL14772971 0.73 EGFR (0.45) EGFRSRCLRRK2
SCHEMBL12262286 0.73 ERBB2 (0.51) EGFRERBB2SRCLRRK2
SCHEMBL24968811 0.71 EGFR (0.59) EGFRERBB2LRRK2
SCHEMBL13814707 0.71 EGFR (0.62) EGFRERBB2
SCHEMBL12431497 0.71 THRB (0.57) EGFRSRCLRRK2

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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 US disclosed
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885SRC 526/4885

“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.