SCHEMBL16631535

SCHEMBL16631535

Cc1cc[nH]c2nc(=O)c(C)cc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NR3C1 P04150 3/20 0.32
PGR P06401 3/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
BRD4 O60885 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL16631384 0.86 CDK2 (0.34) NPC1RAB9AATMERAP1ADORA2A
SCHEMBL18080447 0.82 GPR55 (0.33) NPC1RAB9AATMERAP1LMNA
SCHEMBL18081952 0.74 ATAD2 (0.31)
SCHEMBL18081960 0.73 RAB9A (0.40) NPC1RAB9AATMERAP1BRD4
SCHEMBL16631413 0.72 MAPT (0.35) NPC1RAB9AATMERAP1ADORA2A
SCHEMBL16631363 0.71
SCHEMBL16631864 0.71 SELP (0.34) NR3C1
SCHEMBL16631498 0.70 PDE3B (0.30) PDE3BPDE3A
SCHEMBL16631536 0.70 P2RX7 (0.30)
SCHEMBL18081781 0.69 FGFR1 (0.33) NPC1RAB9AATMERAP1FGFR1

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 3376/4885ATM 2211/4885

“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.