SCHEMBL3489617

SCHEMBL3489617

Fc1ccc(-c2ccnn2CC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
KDM5A P29375 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NR3C2 P08235 1/20 0.37
SCN9A Q15858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
CYP17A1 P05093 3/20 0.34
SLC13A5 Q86YT5 1/20 0.33

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
SCHEMBL3488413 0.79 SLC13A5 (0.46) KDM5AKDM2BKDM4CKDM5BNR3C2
SCHEMBL3489166 0.76 MAPK14 (0.42) KDM5AKDM2BKDM4CKDM5BNR3C2
SCHEMBL1386745 0.75 SCN4A (0.40) KDM5AKDM2BKDM4CKDM5BNR3C2
SCHEMBL4825843 0.73 P2RX7 (0.54) KDM5BNR3C2KDM4EALDH1A1RAB9A
SCHEMBL3490088 0.72 HDAC3 (0.51) NPC1RAB9ASMN1; SMN2POLBHPGD
SCHEMBL3488208 0.72 POLB (0.39) KDM5AKDM2BKDM4CKDM5BNR3C2
SCHEMBL104366 0.72 KDM5A (0.35) KDM5AKDM2BKDM4CKDM5BNR3C2
SCHEMBL12206273 0.72 PTGS2 (0.36) KDM4EALDH1A1POLB
SCHEMBL1386524 0.69 SCN4A (0.42) KDM5AKDM2BKDM4CKDM5BNR3C2
SCHEMBL12856390 0.69 CYP17A1 (0.39) KDM4CNPC1RAB9APOLBCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 ADRA1A 138/4885KDM5A 2105/4885KDM2B 4289/4885

“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.