SCHEMBL5774743

SCHEMBL5774743

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TTK P33981 1/20 0.40
MAPK10 P53779 1/20 0.40
JAK2 O60674 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LRRK2 Q5S007 2/20 0.39
KDR P35968 1/20 0.38
ETV6 P41212 1/20 0.38
COMT P21964 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K4 P45985 1/20 0.37
ITK Q08881 3/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL5872971 0.81 KDM4E (0.44) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5872977 0.79 TNKS (0.46) LRRK2KDRETV6FGFR1FLT1
SCHEMBL5873030 0.79 TDO2 (0.41) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5773591 0.76 JAK2 (0.47) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5772793 0.76 JAK2 (0.43) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5769801 0.74 ITK (0.48) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5748633 0.74 FGFR1 (0.53) JAK2LRRK2ITKFGFR1FLT1
SCHEMBL5771063 0.74 LRRK2 (0.54) KDM4EALDH1A1GAAHPGDNPC1
SCHEMBL5873029 0.74 ITK (0.43) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL5873036 0.72 IDO1 (0.43) IDO1KDM4EALDH1A1ALPLGAA

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 2869/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885KDM4E 2869/4885ALDH1A1 2272/4885

“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.