SCHEMBL13605444

SCHEMBL13605444

COc1ccc(-c2cnc(Nc3ccc(CCN4CCC(NC(C)=O)C4)cc3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.50
▸ MCHR1 Q99705 4/20 0.48
▸ KCNH2 Q12809 1/20 0.45
▸ AVPR1B P47901 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HRH2 P25021 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ SMPD3 Q9NY59 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CHRM1 P11229 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40

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
SCHEMBL13605487 0.86 DRD3 (0.44) LTA4HHDAC3HDAC1HDAC2HDAC6
SCHEMBL13605739 0.86 CACNA1G (0.45) HRH3HRH1HDAC3HDAC1HDAC2
SCHEMBL1734153 0.84 CACNA1G (0.45) LTA4HHRH3HRH1HDAC3HDAC1
SCHEMBL1735359 0.84 OPRM1 (0.46) LTA4HHRH3HRH1HDAC3HDAC1
Hydrochloric Acid SCHEMBL1734487 0.84 OPRM1 (0.45) LTA4HHRH3HDAC3HDAC1HDAC2
SCHEMBL1735198 0.84 AVPR1B (0.48) LTA4HMCHR1AVPR1BHRH3
SCHEMBL28775736 0.84 SIGMAR1 (0.44) LTA4HKCNH2HRH3CDK1KDR
SCHEMBL1735308 0.83 DRD3 (0.51) —
SCHEMBL1735305 0.83 DRD3 (0.51) —
SCHEMBL1735361 0.83 OPRM1 (0.44) LTA4HHRH3HDAC3HDAC1HDAC2

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 LTA4H 1304/4885MCHR1 1115/4885KCNH2 837/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE LTA4H 1304/4885MCHR1 1115/4885KCNH2 837/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE LTA4H 1304/4885MCHR1 1115/4885KCNH2 837/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE LTA4H 1304/4885MCHR1 1115/4885KCNH2 837/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE LTA4H 1304/4885MCHR1 1115/4885KCNH2 837/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE LTA4H 1304/4885MCHR1 1115/4885KCNH2 837/4885

“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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