SCHEMBL3707972

SCHEMBL3707972

O=C(Nc1ccc(Br)cc1)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
FLT1 P17948 1/20 0.41
FPR2 P25090 2/20 0.40
AURKA O14965 8/20 0.40
AURKB Q96GD4 8/20 0.40
MET P08581 2/20 0.39
STING1 Q86WV6 1/20 0.39
LYN P07948 1/20 0.39
IGF1R P08069 1/20 0.39
ROCK1 Q13464 1/20 0.39
INCENP Q9NQS7 1/20 0.39
BRAF P15056 3/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
ROCK2 O75116 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37

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
Hydrochloric Acid SCHEMBL3707328 0.99 KDR (0.41) KDRFLT1FPR2AURKAAURKB
SCHEMBL3707012 0.92 AURKA (0.45) KDRAURKAAURKBMETLYN
SCHEMBL3701024 0.91 PTGER3 (0.47) KDRFLT1AURKAAURKBSTING1
SCHEMBL15053228 0.91 FPR2 (0.39) KDRFPR2AURKAAURKBMET
SCHEMBL3703541 0.91 RAB9A (0.41) KDRAURKAAURKBMETSTING1
SCHEMBL3709847 0.91 PTGER3 (0.43) KDRAURKAAURKBMETSTING1
SCHEMBL3709367 0.91 MAPT (0.43) KDRFLT1AURKAAURKBMET
Hydrochloric Acid SCHEMBL3701149 0.91 AURKA (0.45) KDRAURKAAURKBMETLYN
Hydrochloric Acid SCHEMBL3699824 0.90 PTGER3 (0.46) KDRFLT1AURKAAURKBSTING1
Hydrochloric Acid SCHEMBL3698924 0.90 RAB9A (0.41) KDRAURKAAURKBMETSTING1

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 7 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
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN claimed
CN-102066372-B 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2014-09-17 CN disclosed
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
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN 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 9/4885FLT1 5/4885FPR2 1150/4885

“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.