SCHEMBL4037398

SCHEMBL4037398

N#Cc1ccc(-c2nc(N)sc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 8/20 0.50
WDR5 P61964 8/20 0.50
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 1/20 0.39
CHEK2 O96017 1/20 0.39
RPS6KA3 P51812 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
FBP1 P09467 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL19638228 0.81 MYC (0.44) MYCWDR5GAAMAPTKDM4E
SCHEMBL17396363 0.80 MAPT (0.51) MYCWDR5GAAMAPTKDM4E
SCHEMBL2432630 0.77 ALDH1A1 (0.63) GAAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL19638014 0.73 MYC (0.57) MYCWDR5HTTMAPTKDM4E
SCHEMBL3638436 0.72 PTGS2 (0.52) GAAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL31677601 0.71 EGLN2 (0.40) GAA
SCHEMBL2432291 0.71 PTGS2 (0.50) MAPTSMN1; SMN2ALDH1A1FBP1MEN1
SCHEMBL23610341 0.70 ALDH1A1 (0.50) GAAMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL17396314 0.70 GAA (0.38) GAAKDM4ECHEK2RPS6KA3
SCHEMBL31311236 0.70 MPL (0.50) MYCWDR5HTTMAPTKDM4E

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 3 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 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 MYC 3049/4885WDR5 2188/4885GAA 1545/4885

“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.