SCHEMBL2106305

SCHEMBL2106305

O=Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.60
STIM1 Q13586 1/20 0.50
ORAI1 Q96D31 1/20 0.50
RAB9A P51151 8/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
KCNQ3 O43525 1/20 0.48

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
SCHEMBL10226204 0.77 CSNK2A2 (0.46) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL5835708 0.76 CDK2 (0.75) STAT3STIM1ORAI1RAB9ANPC1
SCHEMBL2681128 0.75 STAT3 (1.00) STAT3RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL17318547 0.75 KDR (0.84) STAT3STIM1ORAI1CSNK2A2CSNK2A1
SCHEMBL7019955 0.75 CSNK2A2 (0.47) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL10227543 0.73 CSNK2A2 (0.46) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4100380 0.73 CSNK2A2 (0.46) KMT2AMEN1CSNK2A2CSNK2BCSNK2A1
SCHEMBL18015148 0.72 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL10176144 0.71 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL4297883 0.71 ALOX15 (0.58) STAT3RAB9ANPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
EP-1746097-B1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them AVENTIS PHARMA SA (FR) 2010-01-13 EP disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 US disclosed
EP-1910366-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2008-04-16 EP disclosed
WO-2007012972-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2007-02-01 WO disclosed
EP-1746097-A1 1,4-dihydropyridine-fused heterocycles, process for preparing the same, use and compositions containing them Aventis Pharma S.A. (FR) 2007-01-24 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 (1 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-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR STAT3 4794/4885STIM1 2308/4885ORAI1 1746/4885

“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.