SCHEMBL11279882

SCHEMBL11279882

CSc1nc(N)c2c(n1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
ACHE P22303 6/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
BPTF Q12830 1/20 0.45
KDM4E B2RXH2 4/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSP90AB1 P08238 1/20 0.35
CACNB4 O00305 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
SCHEMBL11307009 0.96 ABCB1 (0.47) ABCB1ACHEKMT2AMEN1MAPK1
SCHEMBL15174189 0.80 ABCB1 (0.55) ABCB1ACHEKMT2AMEN1MAPK1
SCHEMBL1101904 0.78 KDM4E (0.55) ABCB1ACHEKMT2AMEN1KDM4E
SCHEMBL26660095 0.77 KMT2A (0.49) ABCB1ACHEKMT2AMEN1MAPK1
SCHEMBL13777930 0.77 KMT2A (0.46) ABCB1ACHEKMT2AMEN1MAPK1
SCHEMBL25552838 0.77 KMT2A (0.47) ABCB1ACHEKMT2AKDM4EGAA
SCHEMBL24359163 0.74 KDM4E (0.53) ACHEKMT2AMEN1MAPK1BPTF
SCHEMBL4908625 0.73 KMT2A (0.43) ABCB1ACHEKMT2AMEN1MAPK1
SCHEMBL857098 0.73 KMT2A (0.46) ABCB1ACHEKMT2AMEN1MAPK1
SCHEMBL3563842 0.73 KDM4E (0.63) ACHEKMT2AMEN1MAPK1BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9339503-B2 Tetrahydro-quinazolinone derivatives as TANK and PARP inhibitors MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-9339503-B2 Tetrahydro-quinazolinone derivatives as TANK and PARP inhibitors MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
US-9339503-B2 Tetrahydro-quinazolinone derivatives as TANK and PARP inhibitors MERCK PATENT GMBH (DE) 2016-05-17 US disclosed
EP-2812323-B1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2016-04-06 EP disclosed
EP-2812323-B1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2016-04-06 EP disclosed
US-20150025071-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
US-20150025071-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
US-20150025071-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
EP-2812323-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS Merck Patent GmbH (DE) 2014-12-17 EP disclosed
WO-2013117288-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2013-08-15 WO disclosed
WO-2013117288-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2013-08-15 WO disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP 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-20150025071-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS TNKS, PARP1, PARP11 ABCB1 665/4885ACHE 3055/4885KMT2A 1590/4885

“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.