SCHEMBL16631412

SCHEMBL16631412

Cc1cc2ccc(F)[nH]c-2nc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 4/20 0.39
TNKS O95271 3/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.38
MGAM O43451 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPBWR1 P48145 2/20 0.37
PARP1 P09874 2/20 0.36
ALOX5 P09917 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 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
SCHEMBL18081932 0.82 MAPK1 (0.40) TNKS2TNKSMAPK1GAAMAPT
SCHEMBL16631556 0.79 NR1I3 (0.40) TNKS2TNKSPARP2GAAMAPT
SCHEMBL18080455 0.79 CYP1A2 (0.38) TNKS2TNKSMAPK1KDM4EALDH1A1
SCHEMBL16631747 0.79 TNKS (0.40) TNKS2TNKSPARP2MAPK1MAPT
SCHEMBL16631519 0.79 TNKS (0.35) TNKS2TNKSPARP2MAPK1GAA
SCHEMBL18081931 0.76 TNKS2 (0.34) TNKS2TNKSPARP2MAPK1GAA
SCHEMBL16631918 0.76 SLC9A1 (0.35) TNKS2TNKSPARP2MAPK1GAA
SCHEMBL16631520 0.74 SMPD3 (0.38) TNKS2TNKSMAPK1GAAMAPT
SCHEMBL18081781 0.74 FGFR1 (0.33) GAAMGAMSIMGAM2NPC1
SCHEMBL16631385 0.74 AMY1A (0.35) GAAMGAMSIMGAM2NPC1

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 TNKS2 183/4885TNKS 162/4885PARP2 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.