SCHEMBL13605462

SCHEMBL13605462

COc1ccc(-c2cnc(Nc3ccc(CCN4CCSC4C(=O)O)cc3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDR P35968 2/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ PRKDC P78527 1/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ PTK2 Q05397 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDGFRB P09619 1/20 0.36

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
SCHEMBL1736426 0.83 DGAT1 (0.51) SPHK2SPHK1DGAT1HRH3
SCHEMBL1735427 0.83 DGAT1 (0.51) SPHK2SPHK1DGAT1HRH3
SCHEMBL13605464 0.83 SPHK2 (0.46) SPHK2SPHK1HDAC1HDAC3HDAC2
SCHEMBL13605477 0.82 SPHK2 (0.45) SPHK2SPHK1HDAC1HDAC3HDAC2
SCHEMBL13605458 0.82 DGAT1 (0.42) SPHK2SPHK1HDAC1HDAC3HDAC2
SCHEMBL1735359 0.81 OPRM1 (0.46) HDAC1HDAC3HDAC2HDAC6HRH3
SCHEMBL1735247 0.81 HRH3 (0.44) SPHK2SPHK1HDAC1HDAC3HDAC2
SCHEMBL13605453 0.81 HDAC3 (0.44) SPHK2SPHK1HDAC1HDAC3HDAC2
SCHEMBL13605475 0.80 SPHK2 (0.43) SPHK2SPHK1HDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL1734487 0.80 OPRM1 (0.45) HDAC1HDAC3HDAC2HDAC6HRH3

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 SPHK2 1593/4885SPHK1 1553/4885HDAC1 1367/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HDAC1 1367/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HDAC1 1367/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HDAC1 1367/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HDAC1 1367/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HDAC1 1367/4885

“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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