SCHEMBL3488790

SCHEMBL3488790

NC(=O)/C(=C\c1ccccc1)Nc1cc(Nc2ccc(Oc3ccccc3)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.51
ERBB3 P21860 6/20 0.51
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ERBB2 P04626 3/20 0.45
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
SCN9A Q15858 1/20 0.44
BTK Q06187 3/20 0.43
KCNH2 Q12809 1/20 0.42
TGM2 P21980 1/20 0.41
KDR P35968 1/20 0.41
TNNI3K Q59H18 1/20 0.41
JAK3 P52333 1/20 0.41
ERBB4 Q15303 1/20 0.41

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
SCHEMBL3488793 1.00 EGFR (0.51) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL690318 0.78 TGM2 (0.71) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691250 0.77 MEN1 (0.56) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691113 0.77 EGFR (0.67) EGFRERBB3ERBB2BTKKCNH2
SCHEMBL16158635 0.75 EGFR (0.58) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691633 0.75 EGFR (0.47) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691637 0.75 EGFR (0.60) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL3487003 0.74 MEN1 (0.61) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691983 0.74 EGFR (0.48) EGFRERBB3MEN1KMT2ANPC1
SCHEMBL691980 0.74 EGFR (0.48) EGFRERBB3MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 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-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB3 294/4885MEN1 606/4885

“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.