SCHEMBL1007907

SCHEMBL1007907

CC(C)(C)c1cc(C(F)(F)F)n2ncc(C#N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE2A O00408 2/20 0.41
CDK2 P24941 2/20 0.40
LMNA P02545 1/20 0.40
CSNK2A1 P68400 4/20 0.40
MAPT P10636 2/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 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
SCHEMBL1008264 0.90 LMNA (0.45) KDM4EHSD17B10HPGDALDH1A1GLA
SCHEMBL1007301 0.83 KDM4E (0.56) KDM4EHSD17B10HPGDALDH1A1GLA
SCHEMBL20798579 0.80 CSNK2A1 (0.56) KDM4EHSD17B10HPGDALDH1A1GLA
SCHEMBL1924374 0.78 KDM4E (0.64) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL27116432 0.78 CDK2 (0.46) KDM4EHSD17B10HPGDALDH1A1GLA
SCHEMBL1009507 0.75 CSNK2A1 (0.67) KDM4EHSD17B10HPGDALDH1A1GLA
SCHEMBL1924384 0.74 CDK2 (0.54) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL313181 0.74 CSNK2A1 (0.56) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL1924058 0.74 CSNK2A1 (0.70) KDM4EHSD17B10HPGDALDH1A1GLA
SCHEMBL1925112 0.73 MAPT (0.55) KDM4EHSD17B10HPGDALDH1A1GLA

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 KDM4E 3157/4885HSD17B10 2980/4885HPGD 2564/4885

“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.