SCHEMBL3510089

SCHEMBL3510089

COC(=O)CCCN(C)c1ncnc(Nc2ccc(Oc3ccc(C)nc3)c(C)c2)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.51
EGFR P00533 11/20 0.51
ERBB3 P21860 1/20 0.51
ERBB4 Q15303 1/20 0.51
KCNH2 Q12809 3/20 0.49
FECH P22830 1/20 0.48
CDK8 P49336 1/20 0.48
MAP2K5 Q13163 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL3510630 0.88 ERBB2 (0.46) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL5528620 0.77 ERBB2 (0.60) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL3508232 0.72 EGFR (0.58) ERBB2EGFRERBB3ERBB4HDAC1
SCHEMBL1105274 0.71 ERBB2 (0.56) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL5002315 0.71 ERBB2 (0.56) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2751517 0.69 ERBB2 (0.64) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2750670 0.69 ERBB2 (0.52) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2749960 0.69 ERBB2 (0.63) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2749945 0.69 ERBB2 (0.63) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2747892 0.68 ERBB2 (0.65) ERBB2EGFRERBB3ERBB4KCNH2

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 ERBB2 195/4885EGFR 573/4885ERBB3 60/4885

“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.