SCHEMBL16631949

SCHEMBL16631949

CCCCOc1ncc(Br)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
CNR2 P34972 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
PIN1 Q13526 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 5/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP19A1 P11511 3/20 0.35
CYP3A4 P08684 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL10085406 0.75 CCR4 (0.40) CCR4HTT
SCHEMBL16631631 0.72 CA12 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL25028982 0.72 PDK2 (0.35)
SCHEMBL27670712 0.72 MAPK8 (0.36) CNR2CDK1CCNB1CCNA2CDK2
SCHEMBL20843709 0.71 L3MBTL1 (0.48) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL16631791 0.71 CCR4 (0.43) CCR4CDK1CCNB1CCNA2CDK2
SCHEMBL2702034 0.71 CNR2 (0.39) CNR2CYP2C9CYP2D6CYP2C19CYP19A1
SCHEMBL13896724 0.70 MAPT (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19501911 0.69
SCHEMBL27261093 0.69 MBOAT4 (0.34)

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 CCR4 1744/4885CNR2 4333/4885CDK1 3219/4885

“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.