SCHEMBL16631653

SCHEMBL16631653

CCCCOc1cnc(N)c(F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.39
TLR8 Q9NR97 3/20 0.39
KDM4E B2RXH2 1/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
PIN1 Q13526 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCHR1 Q99705 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL16631695 0.79 GABRP (0.33) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL32681569 0.76 SIRT6 (0.36)
SCHEMBL16631664 0.73 NPC1 (0.42) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL16631651 0.71 CYP2D6 (0.37) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL4263969 0.71 CYP2D6 (0.42) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL18080638 0.70 LTA4H (0.45) RAB9AMAPTCDK1CCNB1CCNA2
SCHEMBL13764995 0.69 TLR7 (0.40) NPC1RAB9APKMTLR8KDM4E
SCHEMBL16631587 0.69 CYP1A2 (0.36) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL2990823 0.68 CDK1 (0.46) NPC1RAB9AMEN1MAPTMAPK1
SCHEMBL11744829 0.68 CYP1A2 (0.50) NPC1RAB9AMEN1MAPTMAPK1

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 NPC1 1636/4885RAB9A 3376/4885MEN1 3881/4885

“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.