SCHEMBL4279362

SCHEMBL4279362

Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)NCC(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
MAPK14 Q16539 1/20 0.41
GABRA5 P31644 8/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
GABRA1 P14867 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4279633 0.89 GSK3B (0.48) GSK3BHDAC1HDAC6KDM4EPRKAB2
SCHEMBL4290398 0.84 GSK3B (0.52) GSK3BHDAC1HDAC6KDM4EPRKAB2
SCHEMBL4283161 0.82 CDK14 (0.43) HDAC1HDAC6KDM4EMAPK14KMT2A
SCHEMBL4279916 0.81 GSK3B (0.66) GSK3BHDAC1HDAC6KDM4EPRKAB2
SCHEMBL4285709 0.81 GSK3B (0.48) GSK3BHDAC1HDAC6KDM4EPRKAB2
SCHEMBL5423407 0.81 KDM4E (0.60) HDAC1HDAC6KDM4EGABRA5KMT2A
SCHEMBL15062819 0.80 GSK3B (0.71) GSK3BKDM4EPRKAB2PRKAG1PRKAA2
SCHEMBL4288595 0.78 GRM5 (0.45) KDM4EMAPK14KMT2A
SCHEMBL4279957 0.76 HDAC3 (0.44) HDAC1HDAC6KDM4EKMT2A
SCHEMBL22258270 0.76 PRKAB2 (0.39) GSK3BHDAC1HDAC6PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US claimed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP claimed
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP GSK3B 1/4885HDAC1 11/4885HDAC6 87/4885

“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.