SCHEMBL3701024

SCHEMBL3701024

O=C(Nc1cccc(Br)c1)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.47
TRPV1 Q8NER1 1/20 0.42
STING1 Q86WV6 1/20 0.42
BRAF P15056 7/20 0.41
KDR P35968 3/20 0.39
FLT1 P17948 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
EPHB4 P54760 1/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
GRIK1 P39086 1/20 0.38
ROCK2 O75116 1/20 0.38
PDGFRA P16234 1/20 0.38
PARP1 P09874 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
EGFR P00533 1/20 0.37
INCENP Q9NQS7 1/20 0.37
CYP2D6 P10635 1/20 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 SCHEMBL3699824 0.99 PTGER3 (0.46) PTGER3TRPV1STING1BRAFKDR
SCHEMBL15053730 0.91 PTGER3 (0.43) PTGER3TRPV1STING1BRAFKDR
SCHEMBL3707972 0.91 KDR (0.41) STING1BRAFKDRFLT1MAPK14
Hydrochloric Acid SCHEMBL3707328 0.90 KDR (0.41) STING1BRAFKDRFLT1MAPK14
SCHEMBL3707012 0.90 AURKA (0.45) BRAFKDRMAPK14TNNI3KAURKA
SCHEMBL3702027 0.90 BRAF (0.49) PTGER3TRPV1BRAFKDREPHB4
SCHEMBL3701919 0.90 PTGER3 (0.47) PTGER3TRPV1BRAFKDRCYP3A4
SCHEMBL3706461 0.90 PTGER3 (0.47) PTGER3TRPV1BRAFKDRFLT1
Hydrochloric Acid SCHEMBL3701149 0.89 AURKA (0.45) BRAFKDRMAPK14TNNI3KAURKA
Hydrochloric Acid SCHEMBL3706876 0.89 PTGER3 (0.46) PTGER3TRPV1BRAFKDRCYP3A4

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 2307/4885TRPV1 4841/4885STING1 1679/4885

“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.