SCHEMBL12434248

SCHEMBL12434248

O=Nc1ccc(F)c(C(=O)Nc2cccc(Nc3cc(Nc4ccc(F)c(Cl)c4)ncn3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.46
▸ ERBB3 P21860 2/20 0.46
▸ FADS1 O60427 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ERBB2 P04626 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ FGFR1 P11362 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
SCHEMBL13857436 0.88 EGFR (0.42) EGFRERBB3L3MBTL1KMT2AMEN1
SCHEMBL12435598 0.85 FADS1 (0.47) EGFRERBB3FADS1L3MBTL1NPC1
SCHEMBL12262294 0.85 L3MBTL1 (0.53) EGFRERBB3FADS1L3MBTL1NPC1
SCHEMBL12262298 0.84 FADS1 (0.50) EGFRERBB3FADS1L3MBTL1NPC1
SCHEMBL12262288 0.83 GRM5 (0.48) EGFRERBB3FADS1L3MBTL1NPC1
SCHEMBL12262291 0.83 EGFR (0.62) EGFRRAB9AKMT2AMEN1LMNA
SCHEMBL12262295 0.79 MAP3K8 (0.49) EGFRERBB3FADS1L3MBTL1NPC1
SCHEMBL12262296 0.78 KMT2A (0.52) EGFRERBB3FADS1L3MBTL1NPC1
SCHEMBL689431 0.78 EGFR (0.55) EGFRERBB3KMT2AMEN1MAPT
SCHEMBL691505 0.77 EGFR (0.67) EGFRERBB3ERBB2

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-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 — — US disclosed
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 294/4885FADS1 1286/4885

“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.

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