SCHEMBL4288595

SCHEMBL4288595

Cc1cccc(C(=O)Nc2c[nH]nc2C(=O)NCC(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.45
P2RX7 Q99572 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.40
MAPK14 Q16539 1/20 0.39
CDK14 O94921 4/20 0.38
CCNY Q8ND76 4/20 0.38
CD274 Q9NZQ7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ULK1 O75385 1/20 0.36

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
SCHEMBL4281485 0.87 GRM5 (0.43) GRM5P2RX7IRAK4CDK14CCNY
SCHEMBL4279992 0.86 GRM5 (0.46) GRM5P2RX7IRAK4CDK14CCNY
SCHEMBL4284286 0.85 GRM5 (0.42) GRM5P2RX7IRAK4CDK14CCNY
SCHEMBL4283563 0.84 GRM5 (0.47) GRM5P2RX7IRAK4CD274MEN1
SCHEMBL4288450 0.84 GRM5 (0.44) GRM5P2RX7IRAK4MEN1KMT2A
SCHEMBL4279957 0.83 HDAC3 (0.44) KMT2AKDM4EGAA
SCHEMBL4287245 0.83 GRM5 (0.45) GRM5P2RX7MEN1KMT2AMAPK8
SCHEMBL4288777 0.83 GRM5 (0.45) GRM5P2RX7MEN1KMT2AMAPK8
SCHEMBL4285811 0.81 GRM5 (0.43) GRM5P2RX7IRAK4CDK14CCNY
SCHEMBL4285745 0.81 GRM5 (0.43) GRM5P2RX7MEN1KMT2A

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 2 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 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 GRM5 3842/4885P2RX7 1137/4885IRAK4 415/4885

“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.