SCHEMBL941961

SCHEMBL941961

NC(=O)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QTRT1 Q9BXR0 1/20 0.59
TOP2A P11388 2/20 0.56
TOP2B Q02880 2/20 0.56
BRD4 O60885 1/20 0.56
PARP1 P09874 5/20 0.54
TNKS2 Q9H2K2 5/20 0.54
MAPT P10636 2/20 0.53
TNKS O95271 4/20 0.53
PARP2 Q9UGN5 1/20 0.53
GUSB P08236 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL4936991 0.86 TOP2A (0.58) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL29965486 0.86 TOP2A (0.58) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL28060714 0.83 BRD4 (0.59) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL6157123 0.82 MAPT (0.56) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL11576628 0.82 MAPT (0.58) QTRT1TOP2ATOP2BBRD4MAPT
SCHEMBL27334538 0.81 BRD4 (0.74) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL8187460 0.81 TOP2A (0.59) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL942595 0.79 MAPT (0.56) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL11499700 0.79 TOP2A (0.52) QTRT1TOP2ATOP2BBRD4PARP1
SCHEMBL11548431 0.79 TOP2A (0.46) QTRT1TOP2ATOP2BBRD4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170843-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-04-07 EP claimed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO claimed
CN-110483418-B 3-substituted quinazolinone-2-formamide derivative and preparation method and application thereof 广西师范大学 2022-09-20 CN disclosed
CN-106008373-B Disubstituted bicyclic derivative and its application as efflux pump inhibitor in antibacterial 山东大学 2019-02-22 CN disclosed
CN-106008373-A Disubstituted bicyclic derivative and application thereof as efflux pump inhibitor to anti-microbial 山东大学 2016-10-12 CN disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
EP-1838718-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS Pfizer, Inc. (US) 2007-10-03 EP disclosed
WO-2006072831-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. (US) 2006-07-13 WO disclosed
WO-2004039843-A1 IMMUNOGLOBULIN G BINDING POCKET AMERSHAM BIOSCIENCES AB (SE) 2004-05-13 WO disclosed
WO-2004039765-A1 USE OF UREA VARIANTS AS AFFINITY LIGANDS AMERSHAM BIOSCIENCES AB (SE) 2004-05-13 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 (3 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 QTRT1 274/4885TOP2A 3326/4885TOP2B 3059/4885
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 QTRT1 1738/4885TOP2A 2870/4885TOP2B 2623/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 QTRT1 1511/4885TOP2A 3072/4885TOP2B 2806/4885

“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.