SCHEMBL4285709

SCHEMBL4285709

Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)NCCC#N)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
GABRA1 P14867 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.39
DYRK1A Q13627 2/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
WNT1 P04628 1/20 0.37

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
SCHEMBL4294905 0.87 NPC1 (0.42) KMT2AALDH1A1POLB
SCHEMBL4290398 0.87 GSK3B (0.52) GSK3BKDM4EKMT2ATDP1HDAC1
SCHEMBL4279633 0.83 GSK3B (0.48) GSK3BKDM4EKMT2ATDP1HDAC1
SCHEMBL4279916 0.83 GSK3B (0.66) GSK3BKDM4EKMT2ATDP1HDAC1
SCHEMBL4288796 0.83 F10 (0.46) KDM4EKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL15062819 0.82 GSK3B (0.71) GSK3BKDM4EKMT2ATDP1PRKAB2
SCHEMBL4283198 0.82 SMN1; SMN2 (0.40) KMT2ATDP1HDAC1ALDH1A1POLB
SCHEMBL4288238 0.81 KMT2A (0.47) KDM4EKMT2AALDH1A1
SCHEMBL4287676 0.81 KDM4E (0.42) KDM4EKMT2AHDAC1ALDH1A1
SCHEMBL4279362 0.81 GSK3B (0.46) GSK3BKDM4EKMT2ATDP1HDAC1

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 1/4885KDM4E 810/4885KMT2A 871/4885

“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.