SCHEMBL2919829

SCHEMBL2919829

COC(=O)c1sccc1N=C=S

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 4/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK10 P53779 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL8099701 0.85 KMT2A (0.47) NPC1KMT2ASMN1; SMN2LMNAHPGD
Water SCHEMBL27477225 0.84 KMT2A (0.46) NPC1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL13140451 0.81 NPC1 (0.53) NPC1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL4715867 0.80 PTPN2 (0.40) NPC1KMT2ALMNAHPGDNPSR1
SCHEMBL12166529 0.78 KMT2A (0.50) NPC1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL12713415 0.75 NPC1 (0.47) NPC1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL26981928 0.74 KMT2A (0.46) NPC1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL1847138 0.74 KMT2A (0.48) NPC1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL3592637 0.74 KMT2A (0.44) NPC1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL1847139 0.74 KMT2A (0.48) NPC1KMT2ASMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
EP-4216958-A2 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-08-02 EP disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 WO disclosed
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 US disclosed
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 US disclosed
WO-2017045750-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
WO-2017045750-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212143-B2 Small molecule inhibitors of protein kinases LEVOLTA PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 US disclosed
US-6472391-B2 INHIBIT PHOSPHORYLATION OF PDGF RECEPTOR TO HINDER ABNORMAL CELL GROWTH AND CELL WANDERING; TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS. MILLENNIUM PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020068734-A1 Nitrogen-containing heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
US-6262058-B1 Pyrimidin-4-one derivatives as pesticide SYNGENTA CROP PROTECTION, INC. 2001-07-17 US disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
EP-0888359-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE Novartis AG (CH) 1999-01-07 EP disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
WO-1997033890-A1 PYRIMIDIN-4-ONE DERIVATIVES AS PESTICIDE NOVARTIS AG (CH) 1997-09-18 WO disclosed
US-4442289-A ANTIASTHMA HOFFMANN-LA ROCHE INC. (US) 1984-04-10 US disclosed
US-4376121-A Antiallerigically-active imidazothienopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US 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-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA NPC1 3532/4885KMT2A 4546/4885SMN1; SMN2 3955/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B NPC1 3211/4885KMT2A 1542/4885SMN1; SMN2 2933/4885

“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.