SCHEMBL6480146

SCHEMBL6480146

N#Cc1c(N(C(=O)c2ccsc2)C(=O)c2ccsc2)nc2ccccc2c1NCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 9/20 0.44
CYP2D6 P10635 9/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
USP2 O75604 8/20 0.44
CYP2C19 P33261 7/20 0.44
TSHR P16473 6/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
CLK4 Q9HAZ1 6/20 0.42
LMNA P02545 6/20 0.42
MAPK1 P28482 4/20 0.42
PDE5A O76074 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL6494390 0.86 MEN1 (0.41) MEN1KMT2ATSHRHSD17B10MAPT
SCHEMBL5462036 0.85 KMT2A (0.48) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL6488993 0.84 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL6480107 0.83 ADORA3 (0.46) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL6491520 0.79 KMT2A (0.46) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL5462040 0.78 ADORA3 (0.42) CYP1A2CYP3A4MEN1KMT2ACYP2C19
SCHEMBL6481975 0.76 MEN1 (0.33) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL939939 0.75 MAPT (0.41) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL3529460 0.74 KMT2A (0.50) CYP1A2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL5224357 0.74 KMT2A (0.47) CYP1A2CYP3A4CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 EP disclosed
CN-1257160-C Aminoquinoline derivatives and their use as adenosine A3 ligands PASTEUR SANOFI DIAGNOSTICS (FR) 2006-05-24 CN disclosed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US disclosed
US-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
CN-1512985-A Aminoquinoline and aminopiperidine derivatives and their use as adenosine A3 ligands ��ŵ�Ѻϳ�ʵ���� 2004-07-14 CN disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 US 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP1A2 1326/4885CYP3A4 217/4885CYP2D6 1122/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP1A2 1326/4885CYP3A4 217/4885CYP2D6 1122/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A CYP1A2 564/4885CYP3A4 247/4885CYP2D6 588/4885

“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.