SCHEMBL16631918

SCHEMBL16631918

Cc1[nH]c2nc(=O)c(C)cc-2cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.35
SMPD3 Q9NY59 1/20 0.34
TNKS2 Q9H2K2 5/20 0.33
TNKS O95271 4/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ALOX5 P09917 1/20 0.33
PIN1 Q13526 3/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPK1 P28482 1/20 0.32
PARP1 P09874 2/20 0.32
KCNH2 Q12809 1/20 0.32
BRD4 O60885 2/20 0.32

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
SCHEMBL18081931 0.86 TNKS2 (0.34) TNKS2TNKSGAAMAPTPARP2
SCHEMBL16631520 0.85 SMPD3 (0.38) SLC9A1SMPD3TNKS2TNKSGAA
SCHEMBL16631519 0.82 TNKS (0.35) TNKS2TNKSGAAMAPTPARP2
SCHEMBL16631454 0.81 TNKS (0.34) TNKS2TNKSGAAMAPTPARP2
SCHEMBL18080471 0.81 TRPV1 (0.37) SLC9A1SMPD3GAAMAPT
SCHEMBL16631450 0.79 MAPT (0.38) SLC9A1SMPD3GAAMAPTALOX5
SCHEMBL16631412 0.76 TNKS2 (0.39) TNKS2TNKSGAAMAPTPARP2
SCHEMBL18081755 0.75 HPGD (0.36) TNKS2TNKSGAAMAPTPARP2
SCHEMBL18081954 0.72 NPC1 (0.33) SLC9A1
SCHEMBL16631364 0.72 MGAM (0.35) TNKS2TNKSGAAPARP2ALOX5

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 SLC9A1 4215/4885SMPD3 1349/4885TNKS2 183/4885

“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.