SCHEMBL5872968

SCHEMBL5872968

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.68
LRRK2 Q5S007 1/20 0.68
MAP2K4 P45985 1/20 0.55
AXL P30530 1/20 0.48
TTK P33981 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK10 P53779 1/20 0.47
PIM1 P11309 7/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PIM2 Q9P1W9 2/20 0.44
PIM3 Q86V86 1/20 0.44
WNT1 P04628 2/20 0.42
NTRK1 P04629 1/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42

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
SCHEMBL5777277 0.87 KDM4E (0.63) IDO1LRRK2MAP2K4TTKKDM4E
SCHEMBL30725847 0.83 IDO1 (1.00) IDO1LRRK2MAP2K4AXLTTK
SCHEMBL12318034 0.83 IDO1 (1.00) IDO1LRRK2MAP2K4AXLTTK
SCHEMBL5873036 0.82 IDO1 (0.43) IDO1LRRK2MAP2K4TTKKDM4E
SCHEMBL5776631 0.81 IDO1 (0.50) IDO1LRRK2MAP2K4TTKKDM4E
SCHEMBL5872808 0.80 GAA (0.51) IDO1MAP2K4KDM4EALDH1A1GAA
SCHEMBL5768166 0.77 IDO1 (0.66) IDO1LRRK2AXLKDM4EALDH1A1
SCHEMBL5873219 0.76 NAMPT (0.38) IDO1LRRK2MAP2K4TTKKDM4E
SCHEMBL11460952 0.76 RARA (0.56) KDM4EALDH1A1GAANPY5R
SCHEMBL5873090 0.74 PLK4 (0.47) NTRK1TGFBR1

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 IDO1 651/4885LRRK2 2922/4885MAP2K4 2844/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885LRRK2 2922/4885MAP2K4 2844/4885

“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.