SCHEMBL5773293

SCHEMBL5773293

CCc1nc(-c2n[nH]c3ccccc23)sc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
KDM4E B2RXH2 3/20 0.53
TTK P33981 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ALPL P05186 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MAPK10 P53779 1/20 0.53
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
LRRK2 Q5S007 2/20 0.43
AURKA O14965 2/20 0.42
MAP2K4 P45985 3/20 0.41
GRM4 Q14833 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
ITK Q08881 3/20 0.39
FGFR1 P11362 1/20 0.39

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 0.82 ALDH1A1 (0.65) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL5768215 0.80 IDO1 (0.57) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL13325265 0.77 ALOX5 (0.46) KDM4EALDH1A1
SCHEMBL11473735 0.77 ALOX5 (0.50) KDM4EALDH1A1
SCHEMBL5773795 0.77 MAP2K4 (0.53) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL5777277 0.76 KDM4E (0.63) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL5771961 0.75 KDM4E (0.55) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL5872971 0.73 KDM4E (0.44) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL5873074 0.73 KDM4E (0.58) IDO1KDM4ETTKALDH1A1ALPL
SCHEMBL855531 0.72 ALDH1A1 (1.00) IDO1KDM4ETTKALDH1A1ALPL

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 IDO1 651/4885KDM4E 2869/4885TTK 624/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885KDM4E 2869/4885TTK 624/4885

“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.