SCHEMBL1283673

SCHEMBL1283673

CC(C)Cc1nc(-c2ccc(N)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.57
LTA4H P09960 7/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36
KCNH2 Q12809 2/20 0.36
TLR8 Q9NR97 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL6895313 0.89 AGER (0.51) AGERLTA4HCYP2D6CYP2C9MAPT
SCHEMBL1283582 0.89 AGER (0.72) AGERLTA4HCYP2D6CYP2C9PTGS2
SCHEMBL1282765 0.87 AGER (0.60) AGERLTA4HCYP2D6CYP2C9MAPT
SCHEMBL1283530 0.84 AGER (0.52) AGERMAPTPTGS2NPC1RAB9A
SCHEMBL1283049 0.83 AGER (0.52) AGERPTGS2KCNH2
SCHEMBL13100643 0.82 AGER (0.52) AGERMAPTLMNASMN1; SMN2
SCHEMBL1283836 0.81 AGER (0.78) AGER
SCHEMBL1284100 0.81 AGER (0.55) AGERLTA4HCYP2D6CYP2C9MAPT
SCHEMBL1283708 0.80 ALDH1A1 (0.58) AGERLTA4HMAPTLMNASMN1; SMN2
SCHEMBL1283661 0.79 AGER (0.51) AGERMAPTDRD1DRD5

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 12 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
CN-101613321-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC 2009-12-30 CN disclosed
CN-101597262-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC (US) 2009-12-09 CN 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
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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 (5 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 1/4885LTA4H 2960/4885MAOA 2253/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885LTA4H 2743/4885MAOA 2094/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885LTA4H 2586/4885MAOA 2216/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B AGER 1/4885LTA4H 2586/4885MAOA 2216/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885LTA4H 2586/4885MAOA 2216/4885

“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.