SCHEMBL5771654

SCHEMBL5771654

c1ccc(-c2nc(-c3n[nH]c4ccccc34)sc2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 3/20 0.65
IDO1 P14902 3/20 0.65
HPGD P15428 2/20 0.65
TTK P33981 2/20 0.65
MAPK10 P53779 2/20 0.65
ALPL P05186 1/20 0.65
GAA P10253 1/20 0.65
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
MAP2K4 P45985 3/20 0.49
LRRK2 Q5S007 2/20 0.48
DCLK1 O15075 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
CSF1R P07333 1/20 0.48
FER P16591 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL5768215 0.86 IDO1 (0.57) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5777277 0.84 KDM4E (0.63) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5873072 0.83 MAP2K4 (0.58) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5773795 0.82 MAP2K4 (0.53) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5773293 0.82 IDO1 (0.53) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5873074 0.81 KDM4E (0.58) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL855531 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL30768403 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5872971 0.79 KDM4E (0.44) ALDH1A1KDM4EIDO1HPGDTTK
SCHEMBL5771961 0.78 KDM4E (0.55) ALDH1A1KDM4EIDO1HPGDTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
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
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO 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 ALDH1A1 2272/4885KDM4E 2869/4885IDO1 651/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885KDM4E 2869/4885IDO1 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.