SCHEMBL13605312

SCHEMBL13605312

CC(C)(C)OC(=O)CNC(=O)c1ccc(-c2cnc(Nc3ccc(OCCN4CCCC(C(N)=O)C4)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.46
▸ JAK1 P23458 4/20 0.46
▸ JAK2 O60674 4/20 0.46
▸ JAK3 P52333 4/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ RET P07949 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ SYK P43405 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MCHR1 Q99705 1/20 0.38
▸ MAP3K7 O43318 2/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ BRAF P15056 4/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ BRDT Q58F21 2/20 0.37

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
SCHEMBL1734148 0.91 BRD4 (0.47) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605349 0.91 BRD4 (0.45) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605311 0.90 BRD4 (0.46) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605319 0.90 BRD4 (0.43) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605354 0.89 BRD4 (0.56) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605332 0.88 BRD4 (0.55) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605318 0.87 HRH3 (0.46) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605345 0.86 BRD4 (0.47) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605393 0.85 HRH2 (0.47) BRD4JAK1JAK2JAK3HDAC1
SCHEMBL13605365 0.85 BRD4 (0.49) BRD4JAK1JAK2JAK3HDAC1

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 737/4885JAK2 308/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885JAK2 308/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885JAK2 308/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885JAK2 308/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885JAK2 308/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE BRD4 1881/4885JAK1 737/4885JAK2 308/4885

“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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