SCHEMBL828103

SCHEMBL828103

Cc1ccnc(CNC(=O)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
F2 P00734 3/20 0.44
WDR5 P61964 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK5 Q00535 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 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
SCHEMBL25587530 0.86 LMNA (0.44) F2WDR5RAB9ANPC1HPGD
SCHEMBL16292701 0.84 KDM5C (0.60) KDM5CKDM5BALDH1A1CDK5TAOK1
SCHEMBL22581521 0.82 KMT2A (0.49) F2WDR5RAB9ANPC1HPGD
SCHEMBL16292440 0.81 KDM5C (0.57) KDM5CKDM5BKDM4EALDH1A1KMT2A
SCHEMBL17801961 0.81 NPSR1 (0.51) WDR5RAB9ANPC1HPGDKMT2A
SCHEMBL2383036 0.81 KDM5B (0.46) KDM5CKDM5BKDM4EALDH1A1MAPT
SCHEMBL25044387 0.80 RAB9A (0.44) WDR5KDM4ERAB9ANPC1HPGD
SCHEMBL16293697 0.79 KDM5C (0.47) KDM5CKDM5BKDM4EALDH1A1KMT2A
SCHEMBL4904477 0.77 KMT2A (0.45) F2WDR5RAB9ANPC1HPGD
SCHEMBL16020311 0.77 KDM4A (0.44) WDR5RAB9ANPC1HPGDKMT2A

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
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
WO-2007118903-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 KDM5C 1886/4885KDM5B 2141/4885F2 4218/4885

“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.