SCHEMBL5873219

SCHEMBL5873219

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(OCCO)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
IDO1 P14902 3/20 0.38
LRRK2 Q5S007 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TTK P33981 1/20 0.36
MAPK10 P53779 1/20 0.36
MAP2K4 P45985 2/20 0.36
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35

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
SCHEMBL5872779 0.89 TDO2 (0.41) NAMPTIDO1LRRK2KDM4EALDH1A1
SCHEMBL5872943 0.84 ALDH1A1 (0.43) LRRK2ALDH1A1
SCHEMBL5873036 0.82 IDO1 (0.43) NAMPTIDO1LRRK2KDM4EALDH1A1
SCHEMBL5777277 0.77 KDM4E (0.63) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5873030 0.77 TDO2 (0.41) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5776631 0.77 IDO1 (0.50) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5872968 0.76 IDO1 (0.68) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5873090 0.74 PLK4 (0.47) NTRK1
SCHEMBL6506307 0.73 LRRK2 (0.53) LRRK2MAPK1ITKNTRK1
SCHEMBL5872967 0.73 CDK2 (0.59) IDO1KDM4EALDH1A1GAAHPGD

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 NAMPT 975/4885IDO1 651/4885LRRK2 2922/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NAMPT 975/4885IDO1 651/4885LRRK2 2922/4885

“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.