Sugi Predict

Sugi Predict / Compounds / SCHEMBL1735203

SCHEMBL1735203

SCHEMBL1735203

COC(=O)c1ccc(Nc2ncc(-c3ccc(OC)cc3)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CSNK2A1 P68400 1/20 0.54
▸ RORC P51449 1/20 0.53
▸ CHEK1 O14757 1/20 0.52
▸ NTRK2 Q16620 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ PTK2 Q05397 1/20 0.47
▸ PLAU P00749 2/20 0.47
▸ AURKA O14965 2/20 0.47
▸ SYK P43405 1/20 0.46

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
SCHEMBL27717813 0.90 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC6MEN1
SCHEMBL1735277 0.89 CSNK2A1 (0.68) HDAC1HDAC3HDAC2HDAC6CA1
SCHEMBL10971529 0.89 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC6MEN1
SCHEMBL10975772 0.88 HDAC3 (0.60) HDAC1HDAC3HDAC2HDAC6CA1
SCHEMBL10971409 0.87 HDAC3 (0.59) HDAC1HDAC3HDAC2HDAC6KDM4E
SCHEMBL14499163 0.87 PTK2 (0.62) HDAC1HDAC3HDAC2HDAC6KMT2A
SCHEMBL2329108 0.84 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6CSNK2A1
SCHEMBL13605518 0.84 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC6KMT2A
SCHEMBL13713071 0.83 RAB9A (0.61) HDAC1HDAC3HDAC2HDAC6MEN1
SCHEMBL13605510 0.82 HDAC3 (0.54) HDAC1HDAC3HDAC2HDAC6CSNK2A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 — — EP disclosed
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-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 — — 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
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 — — WO 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
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 — — EP 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 HDAC1 1367/4885HDAC3 1430/4885HDAC2 1489/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE HDAC1 1367/4885HDAC3 1430/4885HDAC2 1489/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE HDAC1 1367/4885HDAC3 1430/4885HDAC2 1489/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE HDAC1 1367/4885HDAC3 1430/4885HDAC2 1489/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE HDAC1 1367/4885HDAC3 1430/4885HDAC2 1489/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE HDAC1 1367/4885HDAC3 1430/4885HDAC2 1489/4885

“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.