SCHEMBL16631791

SCHEMBL16631791

CCCCOc1nc(Cl)cnc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
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
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPKAPK2 P49137 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
SCHEMBL13896724 0.81 MAPT (0.37) NPC1RAB9ASMN1; SMN2HSD17B10CDK1
SCHEMBL16631963 0.79 CDK1 (0.36) NPC1RAB9ASMN1; SMN2HSD17B10CDK1
SCHEMBL16631965 0.79 CDK1 (0.42) NPC1RAB9ASMN1; SMN2CDK1CCNB1
SCHEMBL26287829 0.75 CCR4 (0.42) CCR4SMN1; SMN2ALDH1A1HPGD
SCHEMBL16631949 0.71 CCR4 (0.41) CCR4NPC1RAB9ASMN1; SMN2CDK1
SCHEMBL18080653 0.71 L3MBTL1 (0.59) SMN1; SMN2PIN1ALDH1A1KDM4EMAPT
SCHEMBL17431873 0.70 SMN1; SMN2 (0.33) CCR4NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL16440211 0.69 NPC1 (0.40) CCR4NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL5230567 0.68 MAPKAPK2 (0.40) CCR4ALDH1A1MAPKAPK2
SCHEMBL609820 0.67

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 1744/4885NPC1 1636/4885RAB9A 3376/4885

“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.