SCHEMBL5768166

SCHEMBL5768166

c1cncc(-c2csc(-c3n[nH]c4ccccc34)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.66
LRRK2 Q5S007 1/20 0.66
CYP19A1 P11511 12/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
AXL P30530 1/20 0.59
PBRM1 Q86U86 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PIM1 P11309 3/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
HPGDS O60760 1/20 0.50

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
SCHEMBL5772080 0.87 KDM4E (0.60) IDO1LRRK2RAB9ANPC1KDM4E
SCHEMBL12318034 0.81 IDO1 (1.00) IDO1LRRK2RAB9ANPC1AXL
SCHEMBL30725847 0.81 IDO1 (1.00) IDO1LRRK2RAB9ANPC1AXL
SCHEMBL5771544 0.80 CYP19A1 (0.51) IDO1CYP19A1RAB9ANPC1KDM4E
SCHEMBL5777148 0.80 KDM4E (0.63) IDO1RAB9ANPC1KDM4EALDH1A1
SCHEMBL5767752 0.79 KDM4E (0.51) IDO1LRRK2RAB9ANPC1KDM4E
SCHEMBL5873071 0.79 MAPT (0.50) IDO1LRRK2RAB9ANPC1MKNK2
SCHEMBL5769985 0.79 MAP2K4 (0.71) IDO1CYP19A1RAB9ANPC1KDM4E
SCHEMBL17014791 0.79 MEN1 (0.67) CYP19A1RAB9ANPC1AXLPBRM1
SCHEMBL5873083 0.79 NPC1 (0.50) IDO1RAB9ANPC1KDM4EALDH1A1

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 651/4885LRRK2 2922/4885CYP19A1 2148/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885LRRK2 2922/4885CYP19A1 2148/4885

“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.