SCHEMBL2429936

SCHEMBL2429936

CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)N(CCCC(=O)N[C@@H]3CCCNC3)CCC(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.61
CHEK1 O14757 1/20 0.40
LMNA P02545 1/20 0.40
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CDC25C P30307 1/20 0.38
DUSP3 P51452 1/20 0.38
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GCK P35557 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL2429940 1.00 CASR (0.61) CASRCHEK1LMNACDC25ACDC25B
SCHEMBL2432965 0.92 CASR (0.64) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL2462485 0.91 CASR (0.55) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL2464622 0.91 CASR (0.55) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL2462483 0.91 CASR (0.55) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL2433531 0.88 CASR (0.56) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL2433536 0.88 CASR (0.56) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL2433788 0.88 CASR (0.56) CASRLMNACDC25ACDC25BCDC25C
SCHEMBL3643404 0.87 CASR (0.64) CASRROCK1ROCK2MEN1KMT2A
SCHEMBL14189779 0.87 CASR (0.61) CASRLMNAROCK1ROCK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP claimed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US claimed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO claimed
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 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 (1 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885CHEK1 3144/4885LMNA 3794/4885

“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.