SCHEMBL3696986

SCHEMBL3696986

O=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
HTR7 P34969 4/20 0.44
DRD4 P21917 12/20 0.43
DRD3 P35462 10/20 0.43
DRD2 P14416 8/20 0.43
HTR6 P50406 2/20 0.43
CACNA1F O60840 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL15052475 0.92 HTR1A (0.40) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL15053047 0.92 HTR1A (0.40) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3698215 0.91 HTR2A (0.44) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3697432 0.91 HTR1A (0.44) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3702250 0.91 HTR2A (0.52) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3700886 0.90 RIPK1 (0.47) HTR1AHTR2AHTR7HTR6
SCHEMBL3713909 0.89 KMT2A (0.43) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3709385 0.89 DRD4 (0.47) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3707545 0.89 IGF1R (0.48) HTR1AHTR2AHTR7DRD4DRD3
SCHEMBL3708119 0.89 DRD4 (0.45) HTR1AHTR2AHTR7DRD4DRD3

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 6 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
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 HTR1A 1518/4885HTR2A 1776/4885HTR7 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.