SCHEMBL3705534

SCHEMBL3705534

N#Cc1ccc(NC(=O)Nc2cccc3c2CCN3Cc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.42
MAP3K7 O43318 1/20 0.39
CNR1 P21554 1/20 0.38
AURKA O14965 4/20 0.37
AURKB Q96GD4 4/20 0.37
LYN P07948 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
ROCK1 Q13464 1/20 0.37
INCENP Q9NQS7 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
BRAF P15056 2/20 0.36
P2RY1 P47900 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL15053771 0.92 GOT1 (0.41) GOT1MAP3K7CNR1AURKAAURKB
SCHEMBL3707054 0.92 CCR3 (0.43) JAK2JAK1CYP3A4BRAFMEN1
SCHEMBL3699381 0.90 AURKA (0.43) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL3709593 0.89 MAP3K7 (0.40) GOT1MAP3K7AURKAAURKBLYN
SCHEMBL3699254 0.89 JAK2 (0.38) JAK2JAK1MEN1ALDH1A1MAPT
SCHEMBL3702643 0.89 JAK2 (0.41) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL3709377 0.89 MAPT (0.41) GOT1MAP3K7CNR1AURKAAURKB
SCHEMBL3709456 0.89 MAP3K7 (0.42) MAP3K7AURKAAURKBLYNIGF1R
SCHEMBL3709473 0.89 P2RY1 (0.41) GOT1CNR1METCYP3A4BRAF
SCHEMBL3698242 0.87 BRAF (0.46) GOT1MAP3K7AURKAAURKBJAK2

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 GOT1 950/4885MAP3K7 521/4885CNR1 734/4885

“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.