SCHEMBL16631963

SCHEMBL16631963

CCCCOc1nc(F)cnc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
PIN1 Q13526 1/20 0.36
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33

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
SCHEMBL16631791 0.79 CCR4 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16631965 0.79 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16264080 0.78 PIK3CA (0.31) KDM4E
SCHEMBL16631607 0.75 MEN1 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16631631 0.72 CA12 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16631651 0.69 CYP2D6 (0.37) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16631624 0.68 THRA (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL14683351 0.68 MAPT (0.40) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11604079 0.68 MEN1 (0.36) 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.