SCHEMBL4131494

SCHEMBL4131494

Fc1cc(F)c(CN2CC[N]CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
CYP2A13 Q16696 1/20 0.36
MAOB P27338 2/20 0.36
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35
CXCR3 P49682 5/20 0.34
CFTR P13569 1/20 0.33
MTNR1B P49286 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GPR6 P46095 1/20 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
SCHEMBL28143369 0.82 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1HTTCYP2A13
SCHEMBL3964348 0.80 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1CYP2A13ACHE
SCHEMBL3962616 0.80 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1ACHECXCR3
SCHEMBL14303254 0.77 LMNA (0.46) KDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL916891 0.76 ALDH1A1 (0.68) KDM4EALDH1A1HTTCYP2A13POLB
SCHEMBL3125832 0.74 ALDH1A1 (0.69) KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL2095818 0.73 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1HTTCYP2A13
SCHEMBL3965653 0.73 ALDH1A1 (0.50) KDM4EALDH1A1HTTCYP2A13POLB
SCHEMBL14304719 0.71 KDM4E (0.37) KDM4ESMN1; SMN2MAOBACHECXCR3
SCHEMBL3356063 0.70 GALR3 (0.52) KDM4ESMN1; SMN2ALDH1A1CYP2A13POLB

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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO 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 (2 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ KDM4E 2382/4885SMN1; SMN2 4708/4885ALDH1A1 2931/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ KDM4E 2382/4885SMN1; SMN2 4708/4885ALDH1A1 2931/4885

“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.