SCHEMBL1283598

SCHEMBL1283598

CCN(CC)CCCOc1cc(OCCCN(CC)CC)c2nc(-c3cccc(Oc4ccc(C#N)cc4)c3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 3/20 0.47
MAP4K4 O95819 2/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
AURKB Q96GD4 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
STK17A Q9UEE5 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
CHEK1 O14757 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
PHKG2 P15735 1/20 0.44
MARK3 P27448 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
ITK Q08881 1/20 0.44
MAP4K2 Q12851 1/20 0.44

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
SCHEMBL1283429 0.90 ACHE (0.46) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1283633 0.90 AGER (0.43) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1283218 0.89 ACHE (0.47) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1283302 0.87 ADORA2A (0.42) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1282977 0.87 KDM4E (0.54) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1282878 0.85 ACHE (0.43) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1615381 0.84 ACHE (0.51) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1283723 0.84 GALR3 (0.43) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1283068 0.83 ADORA2A (0.40) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL1283702 0.81 CHEK2 (0.45) MAP4K4PIM1PIM3AURKBCLK4

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
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
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-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-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-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-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
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 CYP11B1 112/4885CYP11B2 184/4885MAP4K4 2214/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CYP11B1 157/4885CYP11B2 244/4885MAP4K4 2040/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B CYP11B1 157/4885CYP11B2 244/4885MAP4K4 2040/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CYP11B1 157/4885CYP11B2 244/4885MAP4K4 2040/4885

“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.