SCHEMBL16631965

SCHEMBL16631965

CCCCOc1nc(N)cnc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
PIN1 Q13526 1/20 0.42
MCHR1 Q99705 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR8 Q9NR97 3/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL13896724 0.81 MAPT (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16631963 0.79 CDK1 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16631791 0.79 CCR4 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12767704 0.75 PIK3CA (0.41) KDM4EMAPTMEN1KMT2ANOS2
SCHEMBL19686248 0.71 CDK1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL18080651 0.71 L3MBTL1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL20421683 0.69 TLR8 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12352016 0.68 DHFR (0.49) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29308078 0.68 CDK1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16631949 0.68 CCR4 (0.41) CDK1CCNB1CCNA2CDK2CCNA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CDK1 3219/4885CCNB1 3642/4885CCNA2 2711/4885

“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.