SCHEMBL5873074

SCHEMBL5873074

OCc1sc(-c2n[nH]c3ccccc23)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
IDO1 P14902 2/20 0.58
MAPK10 P53779 2/20 0.58
HPGD P15428 2/20 0.58
ALPL P05186 1/20 0.58
GAA P10253 1/20 0.58
TTK P33981 1/20 0.58
MAP2K4 P45985 3/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPK6 Q16659 1/20 0.45
PTGDR2 Q9Y5Y4 6/20 0.45
POLB P06746 1/20 0.45
DCLK1 O15075 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL5771654 0.81 ALDH1A1 (0.65) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL5777277 0.80 KDM4E (0.63) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL5873072 0.79 MAP2K4 (0.58) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL97675 0.78 PTGDR2 (0.68) KDM4EALDH1A1HPGDPTGDR2POLB
SCHEMBL5773677 0.77 CDC7 (0.62) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL30768403 0.76 ALDH1A1 (1.00) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL855531 0.76 ALDH1A1 (1.00) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL5768215 0.76 IDO1 (0.57) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL17178615 0.73 ALDH1A1 (0.92) KDM4EALDH1A1IDO1MAPK10HPGD
SCHEMBL5773795 0.73 MAP2K4 (0.53) KDM4EALDH1A1IDO1MAPK10HPGD

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885ALDH1A1 2272/4885IDO1 651/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885ALDH1A1 2272/4885IDO1 651/4885

“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.