SCHEMBL13605477

SCHEMBL13605477

COc1ccc(-c2cnc(Nc3ccc(CCN4CC[C@H](C)[C@H]4C(=O)O)cc3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 2/20 0.45
▸ SPHK1 Q9NYA1 2/20 0.45
▸ HRH3 Q9Y5N1 11/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ 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
▸ DGAT1 O75907 1/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ GAS6 Q14393 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
SCHEMBL13605464 0.92 SPHK2 (0.46) SPHK2SPHK1HRH3PRKDCHDAC3
SCHEMBL1735247 0.86 HRH3 (0.44) SPHK2SPHK1HRH3HDAC3HDAC1
SCHEMBL1735427 0.85 DGAT1 (0.51) SPHK2SPHK1HRH3DGAT1
SCHEMBL1736426 0.85 DGAT1 (0.51) SPHK2SPHK1HRH3DGAT1
SCHEMBL1735359 0.83 OPRM1 (0.46) HRH3HDAC3HDAC1HDAC2HDAC6
SCHEMBL13605462 0.82 SPHK2 (0.41) SPHK2SPHK1HRH3PRKDCHDAC3
SCHEMBL13605475 0.82 SPHK2 (0.43) SPHK2SPHK1PRKDCHDAC3HDAC1
Hydrochloric Acid SCHEMBL1734487 0.82 OPRM1 (0.45) HRH3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1735428 0.81 HRH3 (0.45) SPHK2SPHK1HRH3HDAC3HDAC1
SCHEMBL13605487 0.81 DRD3 (0.44) HDAC3HDAC1HDAC2HDAC6CDK1

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 1553/4885HRH3 68/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HRH3 68/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HRH3 68/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HRH3 68/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HRH3 68/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE SPHK2 1593/4885SPHK1 1553/4885HRH3 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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