SCHEMBL5773591

SCHEMBL5773591

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
CDK4 P11802 2/20 0.47
CCNA2 P20248 2/20 0.47
CCND1 P24385 2/20 0.47
CDK2 P24941 2/20 0.47
CCND3 P30281 2/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
IDO1 P14902 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TTK P33981 2/20 0.44
GAA P10253 2/20 0.44
ALPL P05186 1/20 0.44
HPGD P15428 1/20 0.44
MAPK10 P53779 1/20 0.44
AURKA O14965 2/20 0.44
ITK Q08881 4/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL5769801 0.84 ITK (0.48) JAK2IDO1KDM4EALDH1A1TTK
SCHEMBL5769573 0.83 F2RL3 (0.39) JAK2CDK4CCNA2CCND1CDK2
SCHEMBL5772793 0.83 JAK2 (0.43) JAK2CDK4CCNA2CCND1CDK2
SCHEMBL5872971 0.80 KDM4E (0.44) JAK2CDK2IDO1KDM4EALDH1A1
SCHEMBL1513096 0.79 AURKA (0.66) JAK2CDK4CCNA2CCND1CDK2
SCHEMBL5873029 0.77 ITK (0.43) JAK2CDK4CCNA2CCND1CDK2
SCHEMBL5768215 0.76 IDO1 (0.57) IDO1KDM4EALDH1A1TTKGAA
SCHEMBL5774743 0.76 IDO1 (0.43) JAK2IDO1KDM4EALDH1A1TTK
SCHEMBL12754295 0.74 HSD17B1 (0.54) JAK2CDK4CDK2KDM4EALDH1A1
SCHEMBL5771654 0.73 ALDH1A1 (0.65) CDK2IDO1KDM4EALDH1A1TTK

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 JAK2 4304/4885CDK4 706/4885CCNA2 1362/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B JAK2 4304/4885CDK4 706/4885CCNA2 1362/4885

“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.