SCHEMBL1735169

SCHEMBL1735169

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP2A6 P11509 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
AURKA O14965 2/20 0.47
SYK P43405 1/20 0.47
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10971409 0.88 HDAC3 (0.59) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15332616 0.87 HDAC3 (0.58) ALDH1A1CYP2A6HDAC3HDAC1HDAC2
SCHEMBL27738976 0.84 PIK3CA (0.47) ALDH1A1CYP2A6HDAC3HDAC1HDAC2
SCHEMBL1734202 0.84 HDAC3 (0.50) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL14499097 0.82 HDAC3 (0.54) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL10976137 0.82 HDAC3 (0.54) ALDH1A1HDAC3HDAC1HDAC2HDAC6
[1,4']Bipiperidinyl SCHEMBL1735135 0.82 TYRO3 (0.43) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL10973669 0.81 ADORA2A (0.53) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27717813 0.81 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL1734426 0.80 MCHR1 (0.54) KDR

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101272685-A Diarylamine-containing compounds and compositions, and their use as modulators of C-KIT receptors IRM LLC (BM) 2008-09-24 CN claimed
US-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 US disclosed
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
EP-2190825-A1 5- (4- (HALOALKOXY) PHENYL) PYRIMIDINE-2-AMINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 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-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-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-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-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 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
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-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 US disclosed
EP-1845779-A1 ANTI-BACTERIAL COMPOUNDS Aston University (GB) 2007-10-24 EP 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
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
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
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
WO-2006075159-A1 ANTI-BACTERIAL COMPOUNDS ASTON UNIVERSITY (GB) 2006-07-20 WO 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-20080096894-A1 Anti-Bacterial Compounds MRPL21, PGLS, FOSB ALDH1A1 3322/4885CYP2A6 2441/4885HDAC3 1464/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885CYP2A6 3426/4885HDAC3 1430/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885CYP2A6 3426/4885HDAC3 1430/4885

“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.