SCHEMBL4283161

SCHEMBL4283161

O=C(Nc1c[nH]nc1C(=O)NCC(F)(F)F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK14 O94921 4/20 0.43
CCNY Q8ND76 4/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.40
GRIK1 P39086 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BACE1 P56817 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL4279957 0.84 HDAC3 (0.44) KMT2AMAPTPKMNPC1RAB9A
SCHEMBL4283610 0.84 CDK14 (0.49) CDK14CCNYMAPK14MEN1KMT2A
SCHEMBL5274230 0.82 HPGD (0.49) KMT2ATP53ALDH1A1HDAC1HDAC8
SCHEMBL4279362 0.82 GSK3B (0.46) MAPK14KMT2ATDP1KDM4EHDAC1
SCHEMBL5320217 0.80 MAPK14 (0.55) MAPK14RAB9AMLYCDHDAC1
SCHEMBL5268958 0.80 RAB9A (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2801723 0.80 KMT2A (0.54) MEN1KMT2AMDM4TP53MAPT
SCHEMBL4288595 0.79 GRM5 (0.45) CDK14CCNYMAPK14MEN1KMT2A
SCHEMBL5265834 0.79 SIRT1 (0.53) CDK14CCNYMEN1KMT2AHTT
SCHEMBL5269246 0.78 MLYCD (0.54) MAPTNPC1RAB9AALDH1A1MLYCD

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 CDK14 218/4885CCNY 1293/4885MAPK14 602/4885

“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.