SCHEMBL5250629

SCHEMBL5250629

Cc1cc(N)c(N)c2c(N)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CD44 P16070 1/20 0.46
PKM P14618 1/20 0.42
ALDH1A1 P00352 8/20 0.42
CYP3A4 P08684 5/20 0.42
HPGD P15428 5/20 0.42
TSHR P16473 4/20 0.42
HSD17B10 Q99714 3/20 0.42
PIK3CA P42336 1/20 0.41
NSD2 O96028 2/20 0.38
CASP6 P55212 1/20 0.38
PARP1 P09874 1/20 0.38
BACE1 P56817 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
KEAP1 Q14145 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 3/20 0.37

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 0.80 CYP3A4 (0.48) KDM4ETDP1CD44PKMALDH1A1
SCHEMBL2760551 0.76 PKM (0.52) KDM4ETDP1CD44PKMALDH1A1
SCHEMBL9404194 0.76 ALDH1A1 (0.48) KDM4ETDP1CD44PKMALDH1A1
SCHEMBL30000532 0.76 PKM (0.52) KDM4ETDP1CD44PKMALDH1A1
SCHEMBL5250623 0.75 ALDH1A1 (0.42) KDM4ETDP1CD44ALDH1A1CYP3A4
SCHEMBL7298896 0.75 ALDH1A1 (0.42) KDM4ETDP1CD44ALDH1A1CYP3A4
SCHEMBL29463743 0.71 ALDH1A1 (0.48) KDM4ETDP1CD44ALDH1A1CYP3A4
SCHEMBL21554126 0.71 ALDH1A1 (0.48) KDM4ETDP1CD44ALDH1A1CYP3A4
SCHEMBL12774939 0.70 CYP3A4 (0.57) KDM4ETDP1CD44ALDH1A1CYP3A4
SCHEMBL22990647 0.70 CD44 (0.50) KDM4ETDP1CD44PKMALDH1A1

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 14 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
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-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
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (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 KDM4E 4073/4885TDP1 3706/4885CD44 2711/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A KDM4E 3407/4885TDP1 3669/4885CD44 3034/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A KDM4E 3733/4885TDP1 3967/4885CD44 3924/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 KDM4E 3358/4885TDP1 4524/4885CD44 4245/4885

“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.