SCHEMBL16631747

SCHEMBL16631747

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.40
TNKS2 Q9H2K2 3/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPBWR1 P48145 2/20 0.38
RAB9A P51151 2/20 0.37
RAD51 Q06609 1/20 0.37
PIN1 Q13526 1/20 0.37
DGAT1 O75907 4/20 0.36
WNT3A P56704 2/20 0.36
PARP1 P09874 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL16631448 0.81 NR1I3 (0.38) TNKSTNKS2PARP2KDM4EHPGD
SCHEMBL18080473 0.81 NOTUM (0.38) TNKSTNKS2PARP2KDM4EHPGD
SCHEMBL16631412 0.79 TNKS2 (0.39) TNKSTNKS2PARP2KDM4EHPGD
SCHEMBL18081932 0.78 MAPK1 (0.40) TNKSTNKS2KDM4EHPGDALDH1A1
SCHEMBL18081755 0.78 HPGD (0.36) TNKSTNKS2PARP2HPGDNPBWR1
SCHEMBL16631382 0.76 NOTUM (0.36) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL18081918 0.75 NOTUM (0.35) KDM4EHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL18081810 0.74 DGAT1 (0.42) DGAT1
SCHEMBL16631454 0.74 TNKS (0.34) TNKSTNKS2PARP2HPGDNPBWR1
SCHEMBL16631519 0.71 TNKS (0.35) TNKSTNKS2PARP2NPBWR1PARP1

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.