SCHEMBL942595

SCHEMBL942595

O=C(NF)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
TOP2A P11388 2/20 0.52
TOP2B Q02880 2/20 0.52
BRD4 O60885 1/20 0.52
MMP13 P45452 2/20 0.51
PARP1 P09874 3/20 0.50
TNKS2 Q9H2K2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
QTRT1 Q9BXR0 1/20 0.50
PKM P14618 1/20 0.50
ALPI P09923 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
TNKS O95271 1/20 0.49
HDAC1 Q13547 1/20 0.47

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
SCHEMBL6157123 0.84 MAPT (0.56) MAPTTOP2ATOP2BBRD4MMP13
SCHEMBL29965486 0.82 TOP2A (0.58) MAPTTOP2ATOP2BBRD4PARP1
SCHEMBL4936991 0.82 TOP2A (0.58) MAPTTOP2ATOP2BBRD4PARP1
SCHEMBL4930061 0.81 MMP13 (0.65) MMP13TNKS2PKMTNKS
SCHEMBL941961 0.79 QTRT1 (0.59) MAPTTOP2ATOP2BBRD4PARP1
SCHEMBL28060714 0.79 BRD4 (0.59) MAPTTOP2ATOP2BBRD4PARP1
SCHEMBL4935373 0.78 MMP13 (0.57) MAPTMMP13TNKS2ALDH1A1RAB9A
SCHEMBL27334538 0.78 BRD4 (0.74) MAPTTOP2ATOP2BBRD4PARP1
SCHEMBL8187460 0.77 TOP2A (0.59) MAPTTOP2ATOP2BBRD4PARP1
SCHEMBL4936756 0.76 MMP13 (0.62) MAPTMMP13TNKS2TNKS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US 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-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 MAPT 2878/4885TOP2A 3326/4885TOP2B 3059/4885

“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.