SCHEMBL1733575

SCHEMBL1733575

CC(C)Nc1nc(C(N)=O)cc(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.55
SCN9A Q15858 1/20 0.55
KDM4E B2RXH2 5/20 0.53
ADORA1 P30542 8/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
GLA P06280 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADORA3 P0DMS8 2/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAPK1 P28482 2/20 0.46

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
SCHEMBL1735244 0.86 FPR2 (0.50) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1735520 0.85 KDM4E (0.56) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1735518 0.85 KDM4E (0.50) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1733664 0.84 TDP1 (0.65) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL3722944 0.83 FPR2 (0.50) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1734121 0.83 KDM4E (0.51) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1734424 0.83 KDM4E (0.53) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1734504 0.81 KDM4E (0.51) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1733671 0.81 KDM4E (0.53) FPR2SCN9AKDM4EADORA1ALDH1A1
SCHEMBL1734332 0.81 KDM4E (0.60) KDM4EADORA1ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 WO claimed
EP-1891018-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US claimed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO claimed

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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 FPR2 1263/4885SCN9A 963/4885KDM4E 3910/4885

“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.