SCHEMBL4569774

SCHEMBL4569774

COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2c1ccn2BC=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.42
EPHB4 P54760 3/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGER3 P43115 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39

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
SCHEMBL4569773 0.83 ALDH1A1 (0.42) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL3712376 0.83 MEN1 (0.45) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL3701869 0.83 IGF1R (0.41) IGF1REPHB4MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3710728 0.82 MEN1 (0.44) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL5592761 0.80 KMT2A (0.49) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL5592585 0.79 MEN1 (0.47) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL5959896 0.79 MEN1 (0.46) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL3708832 0.78 IGF1R (0.50) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL5959796 0.78 MEN1 (0.50) IGF1REPHB4MEN1KMT2APOLB
SCHEMBL3700867 0.78 IGF1R (0.46) IGF1REPHB4MEN1KMT2APOLB

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 41/4885EPHB4 33/4885MEN1 1556/4885

“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.