SCHEMBL16631455

SCHEMBL16631455

Cc1cc2c(F)c(F)c(C(F)(F)F)[nH]c-2nc1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL16631526 0.90 PDE3B (0.34) PDE3BPDE3A
SCHEMBL18081783 0.90 PDE3B (0.34) PDE3BPDE3A
SCHEMBL18081917 0.83 PDE3B (0.35) PDE3BPDE3AUSP2TSHR
SCHEMBL18081834 0.82
SCHEMBL18080483 0.81 PDE3B (0.33) PDE3BPDE3AKCNQ3KCNQ2
SCHEMBL18081812 0.81 NPC1 (0.33) NPC1RAB9AATMERAP1
SCHEMBL18081954 0.81 NPC1 (0.33) NPC1RAB9AATMERAP1
SCHEMBL18081918 0.77 NOTUM (0.35)
SCHEMBL16631436 0.76 NPC1 (0.30) NPC1RAB9AATMERAP1
SCHEMBL18081755 0.76 HPGD (0.36) PDE3BPDE3ARAB9AUSP2TSHR

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 PDE3B 1568/4885PDE3A 1692/4885KCNQ3 4558/4885

“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.