SCHEMBL4859549

SCHEMBL4859549

CSc1[nH]nc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CDK5 Q00535 2/20 0.33
DYRK1A Q13627 2/20 0.33
GALR3 O60755 1/20 0.33
HIF1A Q16665 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL15318075 0.73 DHODH (0.35) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL163701 0.72
SCHEMBL15280389 0.72 GAA (0.30) GAA
SCHEMBL9283101 0.72 KDM4E (0.32) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL9210531 0.70
SCHEMBL11463109 0.70 KDM4E (0.53) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL9760986 0.69 HSD11B1 (0.46) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL20583714 0.68
SCHEMBL3749343 0.68 GAA (0.43) KDM4EMAPK1NPSR1MEN1KMT2A
SCHEMBL11546051 0.68 KDM4E (0.50) KDM4EMAPK1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US disclosed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US disclosed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-03-19 US disclosed
US-8916555-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2014-12-23 US disclosed
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
WO-2013138613-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO disclosed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 WO disclosed
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
EP-0004171-B1 PYRAZOLOTRIAZINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND HERBICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 EP disclosed
WO-1979000733-A1 HETEROCYCLIC COMPOUNDS ICI LTD (GB) 1979-10-04 WO disclosed
EP-0004171-A1 Pyrazolotriazinedione derivatives, process for their preparation and herbicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-09-19 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 (6 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-20130274227-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 KDM4E 2100/4885MAPK1 99/4885POLB 1218/4885
US-20150080398-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 KDM4E 2100/4885MAPK1 99/4885POLB 1218/4885
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDM4E 1221/4885MAPK1 217/4885POLB 2421/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 KDM4E 2100/4885MAPK1 99/4885POLB 1218/4885
US-20130303492-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 KDM4E 2100/4885MAPK1 99/4885POLB 1218/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KDM4E 1221/4885MAPK1 217/4885POLB 2421/4885

“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.