SCHEMBL5255672

SCHEMBL5255672

[CH2]c1c(N)cc(N)c2cccc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NR4A2 P43354 2/20 0.35
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
PARP1 P09874 2/20 0.32

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
SCHEMBL21554193 0.77 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL5255678 0.74 CYP3A4 (0.48) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL7308025 0.74 ALDH1A1 (0.48) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL5248962 0.71 ALDH1A1 (0.52) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL1892202 0.71 ALDH1A1 (0.67) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL29788293 0.70 ALDH1A1 (0.65) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL30565110 0.70 ALDH1A1 (0.65) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL16623896 0.70 ALDH1A1 (0.65) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL16107775 0.70 ALDH1A1 (0.54) CYP3A4ALDH1A1HPGDTSHRTDP1
SCHEMBL21554126 0.68 ALDH1A1 (0.48) CYP3A4ALDH1A1HPGDTSHRTDP1

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-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 CN disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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 (4 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B CYP3A4 2846/4885ALDH1A1 871/4885HPGD 700/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A CYP3A4 2260/4885ALDH1A1 928/4885HPGD 985/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A CYP3A4 1480/4885ALDH1A1 1023/4885HPGD 358/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 CYP3A4 83/4885ALDH1A1 507/4885HPGD 1263/4885

“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.