SCHEMBL2107585

SCHEMBL2107585

Cc1ccc2[nH]c(Sc3ccc(C=O)s3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
CYP2A6 P11509 1/20 0.40
KMT2A Q03164 6/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 7/20 0.34
RAB9A P51151 6/20 0.34
NPC1 O15118 5/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 3/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL3435852 0.82 MYC (0.58) MYCKMT2AMAPTMEN1ALDH1A1
SCHEMBL2106226 0.72 MYC (0.47) MYCKMT2AMAPTMEN1CYP1A2
SCHEMBL4597359 0.70 ALDH1A1 (0.53) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL16924488 0.69 MAPT (0.44) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL30181358 0.69 MAPT (0.44) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL8077743 0.69 MAPT (0.41) KMT2AMAPTMEN1GAACYP1A2
Hydrochloric Acid SCHEMBL29956249 0.68 MAPT (0.43) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL8044151 0.67 ALDH1A1 (0.44) KMT2AMAPTMEN1CYP1A2CYP2C9
SCHEMBL8366653 0.66 CYP1A2 (0.54) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL10492786 0.65 MEN1 (0.64) KMT2AMAPTMEN1GAACYP1A2

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 3202/4885CYP2A6 452/4885KMT2A 3525/4885

“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.