SCHEMBL1007005

SCHEMBL1007005

Cc1cc(C(F)(F)F)n2ncc(C(=N)NO)c2n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD11B1 P28845 1/20 0.48
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 6/20 0.43
CASP1 P29466 3/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.42
CASP7 P55210 2/20 0.42
MAPK1 P28482 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HTT P42858 1/20 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
SCHEMBL1008031 0.85 LMNA (0.56) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL1007295 0.85 LMNA (0.50) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL1008005 0.82 KDM4E (0.63) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL1008095 0.79 KDM4E (0.68) HSD17B10MAPTMEN1KMT2AKDM4E
SCHEMBL311925 0.78 KDM4E (0.57) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL1007003 0.76 HSD17B10 (0.51) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL1007002 0.76 HSD17B10 (0.51) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL1007301 0.70 KDM4E (0.56) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL3062924 0.68 KDM4E (0.49) HSD17B10MAPTPOLBMEN1KMT2A
SCHEMBL18208341 0.68 KDM4E (0.68) HSD17B10MAPTPOLBMEN1KMT2A

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 HSD17B10 2980/4885MAPT 4623/4885POLB 3571/4885

“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.