SCHEMBL1614892

SCHEMBL1614892

CCN(CC)CCCOc1cc(OCCCN(CC)CC)c2nc(-c3ccc(OCCc4ccc(Cl)cc4)c(O)c3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
AGER Q15109 7/20 0.42
GCGR P47871 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
MARK3 P27448 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
ITK Q08881 1/20 0.38
MAP4K2 Q12851 1/20 0.38
DYRK1A Q13627 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
PIM3 Q86V86 1/20 0.38

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
SCHEMBL1282615 0.92 ACHE (0.46) ACHEAGERGCGRKDM4ECHEK1
SCHEMBL1283485 0.85 GCGR (0.44) ACHEAGERGCGRKDM4EMAPK13
SCHEMBL13314340 0.84 ACHE (0.46) ACHEAGERGCGRKDM4ECHEK1
SCHEMBL1283342 0.83 ACHE (0.42) ACHEAGERGCGRKDM4EMAPK13
SCHEMBL1283218 0.79 ACHE (0.47) ACHEAGERGCGRKDM4ECHEK1
SCHEMBL1283451 0.79 GCGR (0.46) ACHEAGERGCGRKDM4EMAPK13
SCHEMBL1283220 0.78 HRH3 (0.44) ACHEAGER
SCHEMBL1615263 0.77 GCGR (0.39) ACHEAGERGCGRKDM4EMAPK13
SCHEMBL1283426 0.77 ACHE (0.55) ACHEAGERGCGRKDM4EMAPK13
SCHEMBL1283165 0.77 ACHE (0.55) ACHEAGERKDM4EKDRRHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1276/4885AGER 1/4885GCGR 18/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1301/4885AGER 1/4885GCGR 18/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ACHE 1301/4885AGER 1/4885GCGR 18/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1301/4885AGER 1/4885GCGR 18/4885

“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.