SCHEMBL16631454

SCHEMBL16631454

Cc1cc2cc(F)c(C(F)(F)F)[nH]c-2nc1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.34
TNKS2 Q9H2K2 5/20 0.34
PARP2 Q9UGN5 3/20 0.34
HPGD P15428 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PARP1 P09874 3/20 0.32
RAB9A P51151 1/20 0.32
PIN1 Q13526 1/20 0.32
NPBWR1 P48145 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX5 P09917 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30
WNT3A P56704 1/20 0.30
AR P10275 1/20 0.30
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
SCHEMBL18081755 0.89 HPGD (0.36) TNKSTNKS2PARP2HPGDPDE3B
SCHEMBL16631924 0.82 NR1I3 (0.31) NPBWR1ALOX5
SCHEMBL18080479 0.81 PDE2A (0.33) HPGDPDE3BPDE3A
SCHEMBL18081931 0.81 TNKS2 (0.34) TNKSTNKS2PARP2PARP1GAA
SCHEMBL16631918 0.81 SLC9A1 (0.35) TNKSTNKS2PARP2PARP1PIN1
SCHEMBL16631519 0.77 TNKS (0.35) TNKSTNKS2PARP2PARP1NPBWR1
SCHEMBL16631745 0.77 HCAR2 (0.34) TNKSTNKS2PARP2HPGDPDE3B
SCHEMBL16631455 0.76 PDE3B (0.35) PDE3BPDE3ARAB9AUSP2TSHR
SCHEMBL18081973 0.76 PDE3B (0.32) PDE3BPDE3AARUSP2TSHR
SCHEMBL18080476 0.75 PDE2A (0.34) TNKSTNKS2PARP2HPGDPDE3B

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 TNKS 162/4885TNKS2 183/4885PARP2 156/4885

“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.