SCHEMBL3697600

SCHEMBL3697600

COc1ccc(OC)c(NC(=O)Nc2cccc3c2CCN3Cc2c[nH]c3ncccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
FGFR1 P11362 1/20 0.45
FGFR4 P22455 1/20 0.45
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL15052884 0.92 MEN1 (0.44) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3705503 0.92 HTR1A (0.47) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3708119 0.92 DRD4 (0.45) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3707545 0.92 IGF1R (0.48) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3706455 0.92 HTR1A (0.46) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3710755 0.92 HTR1A (0.50) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3693957 0.91 HTR1A (0.54) HTR1AHTR2AHTR7HTR6KMT2A
SCHEMBL3705109 0.91 FGFR1 (0.46) HTR1AHTR2AHTR7HTR6MEN1
SCHEMBL3704132 0.90 DRD4 (0.49) HTR1AHTR2AHTR7HTR6KMT2A
SCHEMBL3707580 0.89 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1HPGD

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 5 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-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

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.