SCHEMBL3508232

SCHEMBL3508232

COC(=O)CCCN(C)c1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.58
ERBB2 P04626 15/20 0.58
GAK O14976 1/20 0.55
ERBB4 Q15303 4/20 0.53
ERBB3 P21860 1/20 0.53
JAK3 P52333 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL4697985 0.95 EGFR (0.57) EGFRERBB2GAKERBB4ERBB3
SCHEMBL1094486 0.81 EGFR (0.68) EGFRERBB2GAKERBB4ERBB3
SCHEMBL5528646 0.79 EGFR (0.66) EGFRERBB2GAKERBB4ERBB3
SCHEMBL5524423 0.79 EGFR (0.80) EGFRERBB2GAKERBB4ERBB3
SCHEMBL4697984 0.78 EGFR (0.57) EGFRERBB2ERBB4ERBB3HDAC3
SCHEMBL4338866 0.77 EGFR (0.70) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL14466953 0.76 EGFR (0.68) EGFRERBB2GAKERBB4ERBB3
SCHEMBL5002106 0.74 EGFR (0.82) EGFRERBB2GAKERBB4ERBB3
SCHEMBL5002100 0.74 EGFR (0.82) EGFRERBB2GAKERBB4ERBB3
SCHEMBL1105295 0.74 EGFR (0.82) EGFRERBB2GAKERBB4ERBB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 WO 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 EGFR 573/4885ERBB2 195/4885GAK 2322/4885

“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.