SCHEMBL1008264

SCHEMBL1008264

N#Cc1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CSNK2A1 P68400 5/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
CDK2 P24941 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.39
KDM4D Q6B0I6 1/20 0.38
PDE2A O00408 2/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL1007907 0.90 KDM4E (0.41) LMNACSNK2A1KDM4EHSD17B10HPGD
SCHEMBL1007301 0.84 KDM4E (0.56) CSNK2A1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1009507 0.78 CSNK2A1 (0.67) CSNK2A1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1924058 0.77 CSNK2A1 (0.70) CSNK2A1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1924384 0.77 CDK2 (0.54) CSNK2A1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL313181 0.77 CSNK2A1 (0.56) LMNACSNK2A1KDM4EHSD17B10HPGD
SCHEMBL7458893 0.76 LMNA (0.48) LMNAKDM4EHSD17B10HPGDALDH1A1
SCHEMBL1924374 0.76 KDM4E (0.64) CSNK2A1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1924383 0.75 CSNK2A1 (0.54) LMNACSNK2A1KDM4EHSD17B10HPGD
SCHEMBL1924372 0.75 KDM4E (0.61) CSNK2A1KDM4EHSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134862-A1 Compounds BIOVITRUM AB (SE) 2003-07-17 US claimed
WO-2003053976-A1 PIPAZOLO [1,5-a] PYRIMIDINE DERIVATIVES AS MODULATORS OF PPAR BIOVITRUM AB (SE) 2003-07-03 WO claimed
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
US-20030134862-A1 Compounds BIOVITRUM AB (SE) 2003-07-17 US disclosed
WO-2003053976-A1 PIPAZOLO [1,5-a] PYRIMIDINE DERIVATIVES AS MODULATORS OF PPAR BIOVITRUM AB (SE) 2003-07-03 WO 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 (2 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 LMNA 4015/4885CSNK2A1 779/4885KDM4E 3157/4885
US-20030134862-A1 Compounds PPARG, PPARA, PPARD LMNA 4449/4885CSNK2A1 3606/4885KDM4E 2909/4885

“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.