SCHEMBL646345

SCHEMBL646345

O=C(Nc1ccccc1)c1n[nH]cc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CDK2 P24941 2/20 0.53
CCNA2 P20248 1/20 0.53
FLT3 P36888 1/20 0.53
CCNA1 P78396 1/20 0.53
ATR Q13535 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
ADORA3 P0DMS8 2/20 0.46
HIF1A Q16665 1/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL2158149 0.82 HPGD (0.51) KMT2AMEN1CDK2CCNA2FLT3
SCHEMBL954249 0.82 ATR (0.54) KMT2ACDK2CCNA2FLT3CCNA1
SCHEMBL5265834 0.81 SIRT1 (0.53) KMT2AMEN1POLBADORA3RAB9A
SCHEMBL957616 0.81 CHRNB2 (0.53) KMT2ATDP1CDK2CCNA2FLT3
SCHEMBL13596392 0.80 HDAC1 (0.53) RAB9ANPC1
SCHEMBL13816814 0.80 FLT3 (0.49) KMT2AMEN1CDK2CCNA2FLT3
SCHEMBL672416 0.80 ALDH1A1 (0.50) KMT2AMEN1CDK2CCNA2FLT3
SCHEMBL953645 0.78 MAPT (0.58) KMT2AMEN1TDP1CDK2CCNA2
SCHEMBL5267186 0.78 NAPRT (0.51) KMT2AMEN1CDK2CCNA2FLT3
SCHEMBL26784592 0.78 BCL2 (0.49) KMT2AMEN1TDP1CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP claimed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 US claimed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 US claimed
JP-4648324-B2 2011-03-09 JP claimed
US-7687531-B2 N-(3',4'dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-iodo-1-methyl-1H-pyrazole4-carboxamide; fungicides; molds/fungi/; plants/organisms/; controlling microorganisms; microbiocides; dermatophytes; Candida; Epidermophyton; Aspergillus; Trichophyton BAYER CROPSCIENCE AG (DE) 2010-03-30 US claimed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 US claimed
JP-2006528946-A 2006-12-28 JP claimed
EP-1628962-A1 IODOPYRAZOLYL CARBOXANILIDES Bayer CropScience AG (DE) 2006-03-01 EP claimed
WO-2004103975-A1 IODOPYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO claimed
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
EP-2256106-B1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators ASTEX THERAPEUTICS LTD (GB) 2015-05-06 EP disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 US disclosed
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP disclosed
EP-1628962-A1 IODOPYRAZOLYL CARBOXANILIDES Bayer CropScience AG (DE) 2006-03-01 EP disclosed
EP-1599460-A2 OXATHIIN CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
WO-2004103975-A1 IODOPYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO disclosed
WO-2004103975-A1 IODOPYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO disclosed
WO-2004072023-A2 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-26 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 (3 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-20110124698-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 KMT2A 1545/4885MEN1 522/4885TDP1 2029/4885
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 KMT2A 1833/4885MEN1 1465/4885TDP1 2533/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 KMT2A 1930/4885MEN1 353/4885TDP1 1346/4885

“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.