SCHEMBL3706989

SCHEMBL3706989

O=C(Nc1cccc(Br)c1)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.47
STING1 Q86WV6 1/20 0.46
GOT1 P17174 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
PDPK1 O15530 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
EPHB4 P54760 1/20 0.39
GRIK1 P39086 1/20 0.38
PARP1 P09874 1/20 0.38
CDK8 P49336 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 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 SCHEMBL3700278 0.99 PTGER3 (0.46) PTGER3STING1GOT1TRPV1PDPK1
SCHEMBL15052912 0.91 STING1 (0.45) PTGER3STING1GOT1TRPV1PDPK1
SCHEMBL3703390 0.91 DRD2 (0.45) STING1GOT1PDPK1DRD2DRD4
Hydrochloric Acid SCHEMBL3700921 0.90 DRD2 (0.45) STING1GOT1PDPK1DRD2DRD4
SCHEMBL3705574 0.90 MAPT (0.44) PDPK1DRD2DRD4DRD3MTNR1A
SCHEMBL3712084 0.90 PTGER3 (0.48) PTGER3TRPV1PDPK1KDRNPC1
SCHEMBL3712109 0.90 PTGER3 (0.47) PTGER3TRPV1PDPK1FLT1KDR
SCHEMBL3699567 0.90 PTGER3 (0.47) PTGER3TRPV1PDPK1KDM4ENPC1
Hydrochloric Acid SCHEMBL3706342 0.89 MAPT (0.43) PDPK1DRD2DRD4DRD3MTNR1A
Hydrochloric Acid SCHEMBL3700666 0.89 PTGER3 (0.47) PTGER3TRPV1PDPK1DRD2DRD4

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 2307/4885STING1 1679/4885GOT1 950/4885

“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.