SCHEMBL13612958

SCHEMBL13612958

CCOCCN(CCC#N)Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NR1D1 P20393 2/20 0.41
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
NR1H3 Q13133 1/20 0.38

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
SCHEMBL14195202 0.84 POLB (0.41) SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL13970334 0.84 CHRNB2 (0.55) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL12788358 0.84 RECQL (0.43) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL14524638 0.83 RECQL (0.41) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL13954259 0.80 RECQL (0.48) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL170880 0.80 RECQL (0.51) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL733210 0.76 CHRNB2 (0.63) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL24177957 0.72 LCK (0.42) ALDH1A1
SCHEMBL13949621 0.72 CHRNB2 (0.49) CHRNB2CHRNA4RECQLSMN1; SMN2ALDH1A1
SCHEMBL14376115 0.72 CHRNB2 (0.57) CHRNB2CHRNA4SMN1; SMN2NR1D1NR1H3

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 7 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-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-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 (5 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 CHRNB2 254/4885CHRNA4 332/4885RECQL 1516/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885RECQL 1516/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885RECQL 1516/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885RECQL 1516/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885RECQL 1516/4885

“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.