SCHEMBL1249544

SCHEMBL1249544

NC(=O)c1csc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
GAA P10253 1/20 0.66
TLR7 Q9NYK1 1/20 0.58
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR2B P41595 1/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.51
GFER P55789 1/20 0.50
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1785268 0.85 HTR2B (0.59) RAB9AGAATLR7MAPTLMNA
SCHEMBL3412110 0.85 ALDH1A1 (0.71) RAB9AGAATLR7MAPTLMNA
SCHEMBL6821162 0.85 RAB9A (0.68) RAB9AGAATLR7MAPTLMNA
SCHEMBL16310305 0.83 TLR7 (0.57) RAB9AGAATLR7LMNAHTR2B
SCHEMBL999473 0.83 HDAC1 (0.69) RAB9AGAALMNAHTR2BKDM4E
SCHEMBL13078466 0.83 RAB9A (0.70) RAB9AGAATLR7MAPTLMNA
Hydrochloric Acid SCHEMBL6821165 0.83 ALDH1A1 (0.69) RAB9AGAATLR7MAPTLMNA
SCHEMBL10334420 0.83 ALDH1A1 (0.73) RAB9AGAATLR7L3MBTL1HTR2B
SCHEMBL168519 0.83 HTR2B (0.66) RAB9AGAATLR7MAPTLMNA
SCHEMBL6202834 0.83 HPGD (0.64) TLR7MAPTLMNAHTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
US-9982015-B2 Cyclin based inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2018-05-29 US disclosed
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9376465-B2 Cyclin based inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2016-06-28 US disclosed
US-20150011730-A1 Cyclin Based Inhibitors of CDK2 and CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-08 US disclosed
US-20140296484-A1 Cyclin Based Inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2014-10-02 US disclosed
US-20130289240-A1 Cyclin Based Inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA 2013-10-31 US disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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 (5 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-20150011730-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 RAB9A 4074/4885GAA 3372/4885TLR7 2492/4885
US-20130289240-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 RAB9A 4074/4885GAA 3372/4885TLR7 2492/4885
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 CDK4, CDK2, CDK8 RAB9A 4074/4885GAA 3372/4885TLR7 2492/4885
US-20140296484-A1 Cyclin Based Inhibitors of CDK2 and CDK4 CDK4, CDK2, CDK8 RAB9A 4074/4885GAA 3372/4885TLR7 2492/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 RAB9A 4343/4885GAA 81/4885TLR7 4233/4885

“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.