SCHEMBL13713076

SCHEMBL13713076

COc1ccc(-c2cnc(Nc3ccc(C(=O)N4CCN(C(C)C)CC4)cc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.53
SLC6A7 Q99884 1/20 0.52
GRM5 P41594 1/20 0.52
ABL1 P00519 8/20 0.52
BCR P11274 8/20 0.52
EPHX2 P34913 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HRH3 Q9Y5N1 4/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
HPGD P15428 1/20 0.46
LSS P48449 1/20 0.46

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
SCHEMBL13605617 0.89 SLC6A7 (0.55) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL13605612 0.89 SLC6A7 (0.55) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL13659588 0.88 NTRK1 (0.55) DRD3SLC6A7ABL1BCREPHX2
SCHEMBL13605624 0.88 GRM5 (0.65) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL13605620 0.88 DRD3 (0.49) DRD3SLC6A7GRM5ABL1BCR
SCHEMBL13605538 0.87 GRM5 (0.67) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL13605489 0.87 GRM5 (0.67) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL1735187 0.85 CCNC (0.63) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL13605613 0.85 HPGD (0.64) SLC6A7GRM5ABL1BCRHDAC3
SCHEMBL13605615 0.85 GAA (0.57) SLC6A7GRM5ABL1BCRHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 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-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE DRD3 3468/4885SLC6A7 3445/4885GRM5 685/4885

“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.