SCHEMBL4295418

SCHEMBL4295418

N#Cc1cn(CC(=O)O)nn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
EPHX2 P34913 1/20 0.34
CTSL P07711 3/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
CTSB P07858 2/20 0.33
MAP3K8 P41279 1/20 0.33
SRC P12931 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK14 Q16539 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL11521013 0.84 SMYD3 (0.42) SRCCYP19A1
SCHEMBL30457762 0.83 NR1H4 (0.46) GAACTSLCTSSCTSKCTSB
SCHEMBL3707313 0.78 KMT2A (0.46) SRCALDH1A1MAPK1MAPK14
SCHEMBL15495599 0.72 HTT (0.39) HTTGAACYP4F2CYP4A11EPHX2
SCHEMBL4134269 0.72 DPP4 (0.43) HTTGAAEPHX2SRCALDH1A1
SCHEMBL17039107 0.72 HTT (0.39) HTTGAACYP4F2CYP4A11EPHX2
SCHEMBL908481 0.72 LMNA (0.43) HTTGAAEPHX2SRCALDH1A1
Hydrochloric Acid SCHEMBL1375015 0.70 LMNA (0.42) HTTGAAEPHX2SRCALDH1A1
SCHEMBL28759020 0.70 CYP4F2 (0.43) HTTGAACYP4F2CYP4A11SRC
SCHEMBL3730288 0.70 NOTUM (0.49) HTTCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
EP-0918758-B1 PROCESS FOR PREPARING 1-SUBSTITUTED 4-CYANO-1,2,3-TRIAZOLES NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-6156907-A Process for preparing 1-substituted 4-cyano-1,2,3-triazoles NOVARTIS AG (CH) 2000-12-05 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 (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-20140038938-A1 Substituted dihydropyrazolones and their use GLS, ATP6V1B1, PFKP STAT3 2324/4885HTT 4163/4885GAA 1923/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP STAT3 2324/4885HTT 4163/4885GAA 1923/4885

“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.