SCHEMBL3510177

SCHEMBL3510177

Nc1ccc(Oc2cccc(-c3nc(C(F)(F)F)cs3)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
ERBB2 P04626 3/20 0.40
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
SCN9A Q15858 2/20 0.35
PDE7A Q13946 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ERBB3 P21860 2/20 0.34
ERBB4 Q15303 2/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.33
SDHB P21912 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL3505214 0.89 KDM4E (0.39) EGFRERBB2GAALMNAMAPT
SCHEMBL3507108 0.83 MEN1 (0.48) GAALMNAMAPTKDM4EALDH1A1
SCHEMBL3506911 0.75 ALDH1A1 (0.59) LMNAMAPTKDM4ETDP1ALDH1A1
SCHEMBL2747848 0.73 EGFR (0.53) EGFRERBB2MAPTMRGPRX4ERBB3
SCHEMBL29638122 0.73 EGFR (0.53) EGFRERBB2MAPTMRGPRX4ERBB3
SCHEMBL22043798 0.72 NPSR1 (0.37) GAAMAPTKDM4ETDP1ALDH1A1
SCHEMBL7187883 0.71 MAOB (0.55) GAAMAPTALDH1A1PDE7AMRGPRX4
SCHEMBL2747591 0.71 EGFR (0.50) EGFRERBB2GAAMAPTALDH1A1
SCHEMBL9316857 0.70 ALDH1A1 (0.43) GAALMNAMAPTKDM4ETDP1
SCHEMBL3508248 0.70 L3MBTL1 (0.37) EGFRERBB2MAPTKDM4ETDP1

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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 EGFR 54/4885ERBB2 31/4885GAA 3460/4885

“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.