SCHEMBL349187

SCHEMBL349187

NC(=O)c1c(N)[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.49
CSNK2A1 P68400 4/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 5/20 0.42
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
THRB P10828 1/20 0.41
JAK2 O60674 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ENPP2 Q13822 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL30014455 0.82 KIF11 (0.57) PARP1CSNK2A1DYRK1AKDM4EKIF11
SCHEMBL3217015 0.82 KIF11 (0.57) PARP1CSNK2A1DYRK1AKDM4EKIF11
SCHEMBL3197147 0.79 PARP1 (0.44) PARP1CSNK2A1CSNK2A2CSNK2BFGFR1
SCHEMBL3197903 0.79 CA1 (0.49) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL3210534 0.79 PDPK1 (0.42) PARP1FGFR1FLT1KDRSIRT1
SCHEMBL3828991 0.79 MITF (0.51) KDRKDM4EKIF11ALDH1A1GAA
SCHEMBL3217527 0.79 FEN1 (0.44) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL23830045 0.77 PARP1 (0.68) PARP1CSNK2A1CSNK2A2CSNK2BSIRT2
SCHEMBL29620678 0.77 PARP1 (0.68) PARP1CSNK2A1CSNK2A2CSNK2BSIRT2
SCHEMBL14236512 0.76 KDR (0.42) KDRKDM4EKIF11ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104144931-B Pyrimido [4,5 b] indole derivatives and its application in the amplification of candidate stem cell 蒙特利尔大学 2018-04-10 CN disclosed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 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 (2 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PARP1 706/4885CSNK2A1 3442/4885CSNK2A2 3451/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PARP1 706/4885CSNK2A1 3442/4885CSNK2A2 3451/4885

“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.