SCHEMBL5773677

SCHEMBL5773677

CCOC(=O)c1sc(-c2n[nH]c3ccccc23)nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.62
DBF4 Q9UBU7 4/20 0.62
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 2/20 0.56
DHODH Q02127 7/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
GSTO1 P78417 1/20 0.53
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
HPGDS O60760 1/20 0.48
ALPL P05186 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5873072 0.84 MAP2K4 (0.58) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL4503056 0.82 CDC7 (0.88) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL8345636 0.78 CDC7 (0.65) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL4488472 0.78 KDM4E (0.74) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5777277 0.77 KDM4E (0.63) ALDH1A1HSD17B10HPGDKDM4ERARA
SCHEMBL953385 0.77 CDC7 (1.00) CDC7DBF4ALDH1A1HSD17B10TRPM8
SCHEMBL5873074 0.77 KDM4E (0.58) ALDH1A1HPGDMEN1CYP1A2CYP2C9
SCHEMBL16039074 0.76 CDC7 (0.76) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL5771654 0.76 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDCYP1A2CYP2C19
SCHEMBL8823153 0.76 ALDH1A1 (0.75) CDC7DBF4ALDH1A1HSD17B10HPGD

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 CDC7 120/4885DBF4 1446/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CDC7 120/4885DBF4 1446/4885ALDH1A1 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.