SCHEMBL10129543

SCHEMBL10129543

CCCCCOc1nc(N)nc2c1ncn2CCOCO

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.46
CCNB1 P14635 5/20 0.46
CDK2 P24941 4/20 0.46
CCNE1 P24864 3/20 0.46
FGFR1 P11362 2/20 0.44
CYP2C19 P33261 1/20 0.42
MGMT P16455 7/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
SLC29A1 Q99808 1/20 0.41
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL13746589 0.87 MGMT (0.43) CDK1CCNB1CDK2CCNE1FGFR1
SCHEMBL1566029 0.86 FGFR1 (0.55) CDK1CCNB1CDK2CCNE1FGFR1
SCHEMBL14595210 0.84 CDK1 (0.48) CDK1CCNB1CDK2CCNE1CYP2C19
SCHEMBL1565553 0.82 FGFR1 (0.56) CDK1CCNB1CDK2CCNE1FGFR1
SCHEMBL13746845 0.80 CYP2C19 (0.39) CDK1CCNB1CDK2CCNE1FGFR1
SCHEMBL1565558 0.79 FGFR1 (0.57) CDK1CCNB1CDK2CCNE1FGFR1
SCHEMBL2606941 0.77 POLB (0.43) FGFR1CYP2C19POLB
SCHEMBL24383709 0.77 HSP90AB1 (0.51) CDK1CCNB1CDK2CCNE1CYP2C19
SCHEMBL22348853 0.77 HSP90AA1 (0.51) CDK1CCNB1CDK2CCNE1CYP2C19
SCHEMBL10129844 0.76 POLB (0.43) CDK1CCNB1CDK2CCNE1FGFR1

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-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 US disclosed
WO-2009105513-A2 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-08-27 WO 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 (1 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-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY TP53, ZC3HAV1, ZFX CDK1 469/4885CCNB1 418/4885CDK2 234/4885

“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.