SCHEMBL926466

SCHEMBL926466

Cn1nnc(-c2cccc(N)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.43
MAOA P21397 1/20 0.42
ACLY P53396 1/20 0.41
MECP2 P51608 1/20 0.41
EPHX2 P34913 1/20 0.41
MAP4K4 O95819 3/20 0.41
ATAD2 Q6PL18 1/20 0.41
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
METAP2 P50579 1/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 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
SCHEMBL513853 0.81 LMNA (0.54) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL8212790 0.81 ACLY (0.53) TRPM8ACLYSMN1; SMN2NPC1NFKB1
SCHEMBL1628780 0.79 HSD17B2 (0.58) TRPM8ACLYPPARASMN1; SMN2METAP2
SCHEMBL8205448 0.79 XPO1 (0.48) MEN1KMT2ATRPM8ACLYSMN1; SMN2
SCHEMBL1092403 0.79 AHR (0.45) MEN1KDM4EALDH1A1MAPTHPGD
SCHEMBL1823889 0.79 TRPM8 (0.42) LMNAALDH1A1MAPTTRPM8ACLY
SCHEMBL16515686 0.79 AAK1 (0.50) LMNAMEN1KDM4EALDH1A1MAPT
SCHEMBL1674237 0.78 SMN1; SMN2 (0.62) LMNAMEN1KDM4EALDH1A1MAPT
SCHEMBL30967607 0.78 NPC1 (0.47) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL344042 0.77 RAB9A (0.53) HPGDPPARASMN1; SMN2NPC1NFKB1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
US-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 US disclosed
EP-3256452-A1 INHIBITORS OF NECROPTOSIS Catalyst Therapeutics Pty Ltd. (AU) 2017-12-20 EP disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
WO-2016127213-A1 INHIBITORS OF NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2016-08-18 WO disclosed
WO-2015039334-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-03-26 WO disclosed
EP-0508796-B1 Cholecystokinin antagonists MERCK & CO INC (US) 1998-07-08 EP disclosed
US-5696110-A ANTIULCER AGENTS MERCK, SHARP & DOHME, LTD. (GB) 1997-12-09 US disclosed
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
EP-0609306-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1994-08-10 EP disclosed
US-5220018-A Benzodiazepine derivatives MERCK & CO., INC. (US) 1993-06-15 US disclosed
WO-1993008176-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-29 WO disclosed
EP-0539170-A1 Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARP & DOHME LTD. (GB) 1993-04-28 EP disclosed
EP-0538945-A1 Benzodiazepine derivatives, and their use as antagonists of gastrin and/or cholecystokinin GLAXO GROUP LIMITED (GB) 1993-04-28 EP disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed
EP-0508796-A1 Cholecystokinin antagonists MERCK & CO. INC. (US) 1992-10-14 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-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 LMNA 1012/4885MEN1 3639/4885KDM4E 1548/4885

“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.