SCHEMBL1283633

SCHEMBL1283633

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAP4K4 O95819 2/20 0.42
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
AURKB Q96GD4 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
STK17A Q9UEE5 2/20 0.42
MAP4K5 Q9Y4K4 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTPN1 P18031 1/20 0.42
DYRK3 O43781 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PKN2 Q16513 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CHEK1 O14757 1/20 0.42

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 0.93 ACHE (0.46) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1283218 0.92 ACHE (0.47) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1283015 0.92 AGER (0.48) AGERMAP4K4PIM1PIM3AURKB
SCHEMBL1283302 0.90 ADORA2A (0.42) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1282977 0.90 KDM4E (0.54) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1283598 0.90 CYP11B1 (0.47) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1282878 0.88 ACHE (0.43) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1615381 0.87 ACHE (0.51) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1283723 0.87 GALR3 (0.43) AGERADORA2AADORA1MAP4K4PIM1
SCHEMBL1283068 0.86 ADORA2A (0.40) AGERADORA2AADORA1MAP4K4PIM1

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 AGER 1/4885ADORA2A 501/4885ADORA1 342/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885ADORA2A 530/4885ADORA1 355/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B AGER 1/4885ADORA2A 530/4885ADORA1 355/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885ADORA2A 530/4885ADORA1 355/4885

“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.