SCHEMBL3484815

SCHEMBL3484815

Nc1ccc(Oc2cccc3c2CC(=O)N3)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
GSK3B P49841 6/20 0.43
CCNB2 O95067 5/20 0.43
CDK1 P06493 5/20 0.43
CCNB1 P14635 5/20 0.43
CCNB3 Q8WWL7 5/20 0.43
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
HPGD P15428 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
CA9 Q16790 1/20 0.35
GSK3A P49840 1/20 0.34

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
SCHEMBL3484049 0.84 AHR (0.40) EGFRERBB2GSK3BCCNB2CDK1
SCHEMBL3483928 0.81 KMT2A (0.51) EGFRERBB2GSK3BCCNB2CDK1
SCHEMBL3484676 0.80 AHR (0.56) EGFRERBB2GRIA1CACNG8AHR
SCHEMBL3484800 0.79
SCHEMBL7678812 0.77 ALDH1A1 (0.43) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL3484778 0.77 PGR (0.38) EGFRERBB2HPGD
SCHEMBL3484612 0.74 MAOB (0.50) EGFRERBB2GRIA1CACNG8AHR
SCHEMBL3484543 0.74 EGFR (0.49) EGFRERBB2CDK1CDK5HPGD
SCHEMBL3484884 0.74 EIF2AK2 (0.62) EGFRERBB2DRD2AHRCMA1
SCHEMBL3484409 0.74 HPGD (0.50) HPGD

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 EGFR 13/4885ERBB2 1/4885GSK3B 1568/4885

“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.