SCHEMBL351385

SCHEMBL351385

Nc1sc2c(c1C(=O)N1CCCC1)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.55
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 9/20 0.41
HPGD P15428 8/20 0.41
KDM4E B2RXH2 7/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 5/20 0.40
MDM2 Q00987 5/20 0.40
RAD52 P43351 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL5205791 0.81 ALDH1A1 (0.63) ADORA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL16846967 0.80 PTPRC (0.48) ADORA1PTPRCPTPN2PTPN1ALDH1A1
SCHEMBL12057594 0.80 ALDH1A1 (0.64) ADORA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL12057608 0.80 ALDH1A1 (0.64) ADORA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL30477005 0.79 ADORA1 (0.63) ADORA1PTPRCPTPN2PTPN1ALDH1A1
SCHEMBL8289857 0.79 ADORA1 (0.63) ADORA1PTPRCPTPN2PTPN1ALDH1A1
Hydrochloric Acid SCHEMBL28923959 0.78 ADORA1 (0.64) ADORA1PTPRCPTPN2PTPN1ALDH1A1
SCHEMBL10189463 0.77 PTPRC (0.48) ADORA1PTPRCPTPN2PTPN1ALDH1A1
SCHEMBL13151080 0.75 ADORA1 (0.70) ADORA1PTPN2PTPN1ALDH1A1HPGD
SCHEMBL351848 0.74 ADORA1 (0.73) ADORA1PTPRCPTPN2PTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ADORA1 2186/4885PTPRC 1727/4885PTPN2 2318/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ADORA1 2186/4885PTPRC 1727/4885PTPN2 2318/4885

“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.