SCHEMBL3700867

SCHEMBL3700867

COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1ccn2Cc1cn(C(=O)OC(C)(C)C)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.46
MAPT P10636 5/20 0.43
EPHB4 P54760 3/20 0.42
THRB P10828 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
POLB P06746 3/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL3712537 0.92 MEN1 (0.46) MAPTPOLBTP53KMT2AMEN1
SCHEMBL3701869 0.92 IGF1R (0.41) IGF1RMAPTEPHB4IRAK4POLB
SCHEMBL3710717 0.87 PTGER3 (0.41) POLBKMT2AMEN1
SCHEMBL3702550 0.85 PTGER3 (0.47) MAPTKMT2AMEN1
SCHEMBL3704782 0.84 ELANE (0.42) MAPTKMT2AMEN1
SCHEMBL3702005 0.83 PTGER3 (0.44) MAPTEPHB4
SCHEMBL3708832 0.82 IGF1R (0.50) IGF1RMAPTEPHB4THRBIRAK4
Hydrochloric Acid SCHEMBL3700205 0.81 IGF1R (0.49) IGF1RMAPTEPHB4THRBIRAK4
SCHEMBL3708155 0.80 P2RY1 (0.44)
SCHEMBL3706703 0.78 L3MBTL1 (0.41)

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-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 IGF1R 41/4885MAPT 2492/4885EPHB4 33/4885

“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.