SCHEMBL3709847

SCHEMBL3709847

Cc1ccc(NC(=O)Nc2cccc3c2ccn3Cc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.43
RAB9A P51151 2/20 0.43
AURKA O14965 8/20 0.40
AURKB Q96GD4 8/20 0.40
MET P08581 3/20 0.40
LYN P07948 1/20 0.40
IGF1R P08069 1/20 0.40
ROCK1 Q13464 1/20 0.40
INCENP Q9NQS7 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRAF P15056 4/20 0.39
ROCK2 O75116 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
STING1 Q86WV6 1/20 0.39
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38

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 SCHEMBL3703914 0.99 PTGER3 (0.43) PTGER3RAB9AAURKAAURKBMET
SCHEMBL3707012 0.92 AURKA (0.45) AURKAAURKBMETLYNIGF1R
SCHEMBL3706461 0.91 PTGER3 (0.47) PTGER3SMN1; SMN2BRAFROCK2ALDH1A1
SCHEMBL15052740 0.91 RAB9A (0.41) PTGER3RAB9AAURKAAURKBMET
SCHEMBL3707972 0.91 KDR (0.41) RAB9AAURKAAURKBMETLYN
SCHEMBL3709367 0.91 MAPT (0.43) RAB9AAURKAAURKBMETLYN
SCHEMBL3703541 0.91 RAB9A (0.41) PTGER3RAB9AAURKAAURKBMET
Hydrochloric Acid SCHEMBL3701149 0.91 AURKA (0.45) AURKAAURKBMETLYNIGF1R
Hydrochloric Acid SCHEMBL3695838 0.90 PTGER3 (0.46) PTGER3SMN1; SMN2BRAFROCK2KDR
SCHEMBL3702438 0.90 SMN1; SMN2 (0.45) PTGER3RAB9AMETNPC1SMN1; SMN2

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 PTGER3 2307/4885RAB9A 1033/4885AURKA 100/4885

“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.