SCHEMBL3701920

SCHEMBL3701920

O=C(Nc1ccccc1Br)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR1A P08908 4/20 0.43
HTR7 P34969 4/20 0.43
DRD4 P21917 10/20 0.43
DRD2 P14416 8/20 0.43
DRD3 P35462 8/20 0.43
HTR6 P50406 2/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
HIF1A Q16665 2/20 0.38
MAPK1 P28482 2/20 0.38
THPO P40225 1/20 0.38
CACNA1F O60840 1/20 0.38
ADRA2A P08913 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
SCHEMBL15053224 0.91 ITGB2 (0.40) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3703082 0.90 DRD4 (0.45) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3708118 0.90 DRD4 (0.47) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3703084 0.89 HTR2A (0.43) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3702250 0.89 HTR2A (0.52) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3706596 0.89 HTR2A (0.44) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3701249 0.88 STING1 (0.46) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3710715 0.88 HTR2A (0.42) HTR2AHTR1AHTR7DRD4DRD2
SCHEMBL3707684 0.88 BTK (0.35) CYP1A2CYP3A4LMNAKMT2A
SCHEMBL3693957 0.87 HTR1A (0.54) HTR2AHTR1AHTR7DRD4DRD2

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 HTR2A 1776/4885HTR1A 1518/4885HTR7 1326/4885

“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.