SCHEMBL13605331

SCHEMBL13605331

COCCN1CCN(CCOc2ccc(Nc3ncc(-c4ccc(C(=O)NCC(=O)OC(C)(C)C)cc4)cn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
JAK1 P23458 3/20 0.49
HDAC1 Q13547 3/20 0.49
FLT3 P36888 2/20 0.49
JAK2 O60674 1/20 0.49
RET P07949 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CD274 Q9NZQ7 3/20 0.43
KDR P35968 2/20 0.41
CDK1 P06493 1/20 0.41
EGFR P00533 1/20 0.41
BRAF P15056 7/20 0.41
RAF1 P04049 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
AURKA O14965 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL13605365 0.95 BRD4 (0.49) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605354 0.94 BRD4 (0.56) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605332 0.93 BRD4 (0.55) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605362 0.93 CD274 (0.53) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605350 0.93 BRD4 (0.47) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605330 0.92 BRD4 (0.46) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605300 0.92 FLT3 (0.47) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL1734490 0.92 CD274 (0.54) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605345 0.91 BRD4 (0.47) BRD4JAK1HDAC1FLT3JAK2
SCHEMBL13605296 0.90 HRH2 (0.48) BRD4JAK1HDAC1FLT3JAK2

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 BRD4 1881/4885JAK1 737/4885HDAC1 1367/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885HDAC1 1367/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885HDAC1 1367/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885HDAC1 1367/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885HDAC1 1367/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885HDAC1 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.