SCHEMBL13605372

SCHEMBL13605372

CN(C(=O)OC(C)(C)C)C1CCN(CCOc2ccc(Nc3ncc(-c4ccc(C(=O)NCC(=O)OC(C)(C)C)cc4)cn3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.46
▸ HRH3 Q9Y5N1 10/20 0.42
▸ BRD4 O60885 3/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ RET P07949 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 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
SCHEMBL13605318 0.89 HRH3 (0.46) MCHR1HRH3BRD4JAK1HDAC1
SCHEMBL13605345 0.87 BRD4 (0.47) HRH3BRD4JAK1HDAC1JAK2
SCHEMBL13605393 0.86 HRH2 (0.47) BRD4JAK1HDAC1JAK2RET
SCHEMBL13605311 0.86 BRD4 (0.46) HRH3BRD4JAK1HDAC1JAK2
SCHEMBL13605354 0.85 BRD4 (0.56) HRH3BRD4JAK1HDAC1JAK2
SCHEMBL1734148 0.85 BRD4 (0.47) MCHR1HRH3BRD4JAK1HDAC1
SCHEMBL13605332 0.85 BRD4 (0.55) MCHR1HRH3BRD4JAK1HDAC1
SCHEMBL13605331 0.85 BRD4 (0.49) HRH3BRD4JAK1HDAC1JAK2
SCHEMBL13605365 0.85 BRD4 (0.49) MCHR1BRD4JAK1HDAC1JAK2
SCHEMBL13605341 0.84 BRD4 (0.45) HRH3BRD4JAK1HDAC1JAK2

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 MCHR1 1115/4885HRH3 68/4885BRD4 1881/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885HRH3 68/4885BRD4 1881/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885HRH3 68/4885BRD4 1881/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE MCHR1 1115/4885HRH3 68/4885BRD4 1881/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885HRH3 68/4885BRD4 1881/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MCHR1 1115/4885HRH3 68/4885BRD4 1881/4885

“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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