SCHEMBL17075223

SCHEMBL17075223

c1ccc2c(c1)nc1c3ccncc3ncn21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 3/20 0.48
LCK P06239 6/20 0.43
FGFR1 P11362 1/20 0.42
RAD51 Q06609 2/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
CREBBP Q92793 2/20 0.39
TOP2A P11388 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL14815485 0.88 HSD17B10 (0.48) KDM4EHSD17B10HPGDLCKFGFR1
SCHEMBL14815362 0.85 KDM4E (0.55) KDM4EHSD17B10HPGDLCKFGFR1
SCHEMBL9984386 0.84 KDM4E (0.65) KDM4EHSD17B10HPGDLMNATP53
SCHEMBL16586809 0.82 KDM4E (0.63) KDM4EHSD17B10HPGDLMNATP53
SCHEMBL1687647 0.78 HSD17B10 (0.49) KDM4EHSD17B10HPGDLMNATP53
SCHEMBL17075238 0.77 RAD51 (0.44) KDM4EHSD17B10HPGDLCKRAD51
SCHEMBL9984890 0.76 KDM4E (0.41) KDM4EHSD17B10HPGDLCKFGFR1
SCHEMBL14815244 0.75 HPGD (0.40) KDM4EHSD17B10HPGDLCKRAD51
SCHEMBL20091291 0.75 KDM4E (0.47) KDM4EHSD17B10HPGDFGFR1LMNA
SCHEMBL14760387 0.74 KDM4E (0.45) KDM4EHSD17B10HPGDLCKRAD51

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-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM4E 3816/4885HSD17B10 2888/4885HPGD 3882/4885

“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.