SCHEMBL13605282

SCHEMBL13605282

COc1ccc(-c2cnc(Nc3ccc(OCCN4CCC(O)CC4)cc3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ BRAF P15056 1/20 0.48
▸ MAOB P27338 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ KCNA5 P22460 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ AXL P30530 1/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ RET P07949 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL1735235 0.88 LTA4H (0.52) MCHR1HRH3BRAFSYKKCNA5
SCHEMBL13605297 0.88 HRH3 (0.52) PRKDCMCHR1HRH3HRH2HRH1
SCHEMBL13605293 0.88 MCHR1 (0.61) MCHR1HRH3BRAFAXLFLT3
SCHEMBL13605326 0.87 MCHR1 (0.55) MCHR1HRH3BRAFKCNA5DRD3
SCHEMBL13605336 0.87 MCHR1 (0.52) MCHR1BRAFKCNA5DRD3AXL
SCHEMBL13605385 0.87 MCHR1 (0.52) MCHR1BRAFKCNA5DRD3AXL
SCHEMBL1736462 0.86 KCNA5 (0.47) MCHR1HRH2HRH1BRAFKCNA5
SCHEMBL14177214 0.86 KCNA5 (0.47) MCHR1BRAFSYKKCNA5DRD3
SCHEMBL13605386 0.85 MCHR1 (0.50) MCHR1HRH3HRH2HRH1BRAF
SCHEMBL13605315 0.85 MCHR1 (0.50) MCHR1BRAFKCNA5DRD3AXL

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 10 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-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 — — 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 PRKDC 302/4885MCHR1 1115/4885HRH3 68/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE PRKDC 302/4885MCHR1 1115/4885HRH3 68/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE PRKDC 302/4885MCHR1 1115/4885HRH3 68/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE PRKDC 302/4885MCHR1 1115/4885HRH3 68/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE PRKDC 302/4885MCHR1 1115/4885HRH3 68/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE PRKDC 302/4885MCHR1 1115/4885HRH3 68/4885

“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.

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