SCHEMBL3701249

SCHEMBL3701249

O=C(Nc1cccc(Br)c1)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.46
DRD4 P21917 7/20 0.42
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
GOT1 P17174 1/20 0.41
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
HTR7 P34969 3/20 0.39
PTGER3 P43115 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
HTR6 P50406 2/20 0.38
GRM5 P41594 1/20 0.37
GRIK1 P39086 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ATM Q13315 1/20 0.36
PDPK1 O15530 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 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
SCHEMBL15053062 0.92 STING1 (0.45) STING1DRD4DRD2DRD3GOT1
SCHEMBL3708118 0.92 DRD4 (0.47) STING1DRD4DRD2DRD3GOT1
SCHEMBL3703082 0.91 DRD4 (0.45) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL3713909 0.90 KMT2A (0.43) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL3709379 0.90 HTR1A (0.43) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL3706319 0.90 RIPK1 (0.41) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL3705109 0.89 FGFR1 (0.46) DRD4DRD3HTR1AHTR2AHTR7
SCHEMBL3698215 0.89 HTR2A (0.44) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL3703979 0.88 STING1 (0.42) STING1PTGER3TRPV1CYP1A2CYP3A4
SCHEMBL3701920 0.88 HTR2A (0.43) DRD4DRD2DRD3HTR1AHTR2A

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 STING1 1679/4885DRD4 4748/4885DRD2 4262/4885

“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.