SCHEMBL13613185

SCHEMBL13613185

CCN(CC)CCOc1ccc(Nc2ncc(-c3ccc(OC)cc3)cn2)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.50
NOD2 Q9HC29 4/20 0.50
MCHR1 Q99705 11/20 0.49
ESR1 P03372 2/20 0.46
KDR P35968 1/20 0.46
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCND2 P30279 2/20 0.42
CCND3 P30281 2/20 0.42
ACVR1 Q04771 3/20 0.42

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
SCHEMBL12156502 0.88 MCHR1 (0.53) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL1734399 0.83 MCHR1 (0.52) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL1735269 0.83 MCHR1 (0.52) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL1734406 0.83 MCHR1 (0.65) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL1735410 0.82 MCHR1 (0.48) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL1735288 0.81 AGER (0.60) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL1736459 0.80 RIPK2 (0.48) RIPK2NOD2ESR1KDRCDK4
SCHEMBL1734426 0.80 MCHR1 (0.54) RIPK2NOD2MCHR1ESR1KDR
SCHEMBL2427826 0.78 KDM4E (0.52) MCHR1
SCHEMBL1736410 0.76 RIPK2 (0.51) RIPK2NOD2MCHR1ESR1KDR

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 4 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 RIPK2 2205/4885NOD2 1041/4885MCHR1 1115/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE RIPK2 2205/4885NOD2 1041/4885MCHR1 1115/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE RIPK2 2205/4885NOD2 1041/4885MCHR1 1115/4885

“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.