SCHEMBL2107291

SCHEMBL2107291

Cc1nc(Sc2ccc(C=O)o2)[nH]c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 14/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HTT P42858 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2106102 0.77 MYC (0.34) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29952097 0.76 MYC (0.48) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2106226 0.76 MYC (0.47) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2857240 0.76 MYC (0.48) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2100202 0.74 MYC (0.67) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2104557 0.73 MYC (0.52) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2105979 0.73 MYC (0.42) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18920930 0.73 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL2107082 0.71 ALDH1A1 (0.47) MYCSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2106097 0.71 LMNA (0.50) MYCSMN1; SMN2MEN1KMT2AALDH1A1

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 MYC 3202/4885SMN1; SMN2 976/4885MEN1 359/4885

“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.