SCHEMBL5872967

SCHEMBL5872967

COc1cc(-c2nc(-c3n[nH]c4ccccc34)sc2C)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.59
CDK4 P11802 6/20 0.59
CCNA2 P20248 6/20 0.59
CCND1 P24385 6/20 0.59
CCND3 P30281 6/20 0.59
KDR P35968 5/20 0.59
CHEK1 O14757 5/20 0.57
FGFR1 P11362 2/20 0.57
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5771326 0.82 MAP2K4 (0.47) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5777277 0.79 KDM4E (0.63) CDK2FGFR1KDM4EALDH1A1GLA
SCHEMBL5776631 0.78 IDO1 (0.50) CDK2FGFR1KDM4EALDH1A1GAA
SCHEMBL5247470 0.74 CDK2 (1.00) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5873036 0.74 IDO1 (0.43) CDK2FGFR1KDM4EALDH1A1GAA
SCHEMBL5873029 0.74 ITK (0.43) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5250998 0.73 CDK2 (1.00) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL5873219 0.73 NAMPT (0.38) KDM4EALDH1A1GAAHPGDITK
SCHEMBL5872968 0.73 IDO1 (0.68) KDM4EALDH1A1GAAHPGDCLK2
SCHEMBL23496936 0.72 IDO1 (0.56) CDK2CDK4CCNA2CCND1CCND3

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 CDK2 214/4885CDK4 706/4885CCNA2 1362/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CDK2 214/4885CDK4 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.