SCHEMBL3702950

SCHEMBL3702950

COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CIT O14578 2/20 0.36
BTK Q06187 1/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
MAPK14 Q16539 1/20 0.35
PTGER3 P43115 1/20 0.35
ROCK1 Q13464 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL15052870 0.92 EPHB4 (0.41) KDREPHB4TEKIRAK4MAPT
SCHEMBL3700898 0.91 MEN1 (0.48) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3700209 0.91 PKM (0.44) EPHB4IRAK4MAPTKDM4EMEN1
SCHEMBL3712376 0.90 MEN1 (0.45) EPHB4IRAK4MAPTKDM4EMEN1
SCHEMBL3698259 0.90 MAPT (0.41) IRAK4MAPTKDM4EMEN1KMT2A
SCHEMBL3702895 0.90 MAPT (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3710728 0.90 MEN1 (0.44) EPHB4IRAK4MAPTKDM4EMEN1
SCHEMBL27807533 0.89 BRAF (0.36) ALDH1A1CITPTGER3BRAF
Hydrochloric Acid SCHEMBL3708512 0.89 MAPT (0.45) MAPTKDM4EALDH1A1NPSR1CIT
SCHEMBL3707612 0.89 KDM4E (0.45) KDREPHB4TEKIRAK4MAPT

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 4 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 claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
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 KDR 9/4885EPHB4 33/4885TEK 23/4885

“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.