SCHEMBL13605293

SCHEMBL13605293

COc1ccc(-c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.61
BRAF P15056 1/20 0.59
LTA4H P09960 3/20 0.56
AXL P30530 3/20 0.54
HRH3 Q9Y5N1 2/20 0.53
SRC P12931 5/20 0.52
BACE1 P56817 2/20 0.52
JAK2 O60674 2/20 0.52
JAK3 P52333 2/20 0.52
YES1 P07947 1/20 0.52
KDR P35968 1/20 0.52
EPHB4 P54760 1/20 0.52
BRD4 O60885 1/20 0.52
RET P07949 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
FLT3 P36888 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL13605385 0.92 MCHR1 (0.52) MCHR1BRAFLTA4HAXLSRC
SCHEMBL13605336 0.92 MCHR1 (0.52) MCHR1BRAFLTA4HAXLSRC
SCHEMBL13605386 0.90 MCHR1 (0.50) MCHR1BRAFLTA4HAXLHRH3
SCHEMBL13605315 0.90 MCHR1 (0.50) MCHR1BRAFLTA4HAXLSRC
SCHEMBL13605384 0.90 KDR (0.55) MCHR1BRAFSRCJAK2JAK3
SCHEMBL13605352 0.89 KDR (0.54) MCHR1BRAFSRCJAK2JAK3
SCHEMBL13605282 0.88 PRKDC (0.48) MCHR1BRAFLTA4HAXLHRH3
SCHEMBL13605450 0.87 HRH3 (0.61) MCHR1BRAFLTA4HHRH3KDR
SCHEMBL13605329 0.87 MCHR1 (0.48) MCHR1BRAFLTA4HAXLJAK2
SCHEMBL13605297 0.87 HRH3 (0.52) MCHR1BRAFLTA4HAXLHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
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-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 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
US-20080139597-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
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (6 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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885BRAF 400/4885LTA4H 1304/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885BRAF 400/4885LTA4H 1304/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885BRAF 400/4885LTA4H 1304/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE MCHR1 1115/4885BRAF 400/4885LTA4H 1304/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885BRAF 400/4885LTA4H 1304/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885BRAF 400/4885LTA4H 1304/4885

“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.