SCHEMBL745547

SCHEMBL745547

[c]1cnc(-c2ccccn2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
MAPT P10636 3/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TP53 P04637 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.47
ALDH1A1 P00352 5/20 0.46

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
SCHEMBL2895375 0.76 CYP19A1 (0.34) CYP19A1
Dipyridyl SCHEMBL29907716 0.69 KDM4E (1.00) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL5922 0.69 KDM4E (1.00) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL29351528 0.69 KDM4E (1.00) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) KDM4ERAB9ANPC1MAPTATM
SCHEMBL31268013 0.68 KDM4E (0.75) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL2340917 0.67 KDM4E (0.93) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL11114417 0.67 KDM4E (0.93) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL16026844 0.67 KDM4E (0.93) KDM4ERAB9ANPC1MAPTATM
Dipyridyl SCHEMBL183651 0.67 KDM4E (0.93) KDM4ERAB9ANPC1MAPTATM

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-5470862-A Intravenous anesthetics OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1995-11-28 US claimed
CN-114746089-A Thiazolecarboxamide compounds and their use for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 CN disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 US disclosed
US-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2014-06-05 US disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed
EP-0683772-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
US-5470862-A Intravenous anesthetics OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1995-11-28 US disclosed
EP-0683772-A4 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-09-27 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 (6 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 KDM4E 2109/4885RAB9A 1604/4885NPC1 4125/4885
US-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 KDM4E 3241/4885RAB9A 1498/4885NPC1 2745/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 KDM4E 2054/4885RAB9A 1445/4885NPC1 4033/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 KDM4E 2851/4885RAB9A 1581/4885NPC1 3070/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 KDM4E 2109/4885RAB9A 1604/4885NPC1 4125/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 KDM4E 3122/4885RAB9A 1500/4885NPC1 2966/4885

“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.