SCHEMBL3146401

SCHEMBL3146401

COc1cc(CNc2nnccc2C(=O)O)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.46
▸ ASPH Q12797 3/20 0.46
▸ KDM8 Q8N371 3/20 0.46
▸ LOX P28300 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.40
▸ SORT1 Q99523 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4C Q9H3R0 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL3150923 0.85 KDM5B (0.43) KDM5BKDM4EASPHKDM8LOX
SCHEMBL13417827 0.80 KDR (0.48) KDM5BAURKARPS6KB1SORT1LMNA
SCHEMBL5627204 0.79 ALDH1A1 (0.52) KDM5BKDM4EASPHKDM8LOX
SCHEMBL15528862 0.77 KDM5B (1.00) KDM5BKDM4EASPHKDM8AURKA
SCHEMBL6223739 0.75 KDM4E (0.54) KDM4ELOXLOXL2AURKARPS6KB1
SCHEMBL13734537 0.74 LOX (0.54) LOXLOXL2MMP13CDK2GSK3B
SCHEMBL6103736 0.74 KDM5B (0.76) KDM5BKDM4EASPHKDM8AURKA
SCHEMBL6223071 0.74 LOX (0.39) KDM5BKDM4EASPHKDM8LOX
SCHEMBL29195056 0.72 LOX (0.51) KDM4ELOXLOXL2MMP13CDK2
SCHEMBL21592253 0.71 LOX (0.61) LOXLOXL2ENPP2MMP13CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US claimed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — 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 (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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM5B 427/4885KDM4E 922/4885ASPH 213/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM5B 427/4885KDM4E 922/4885ASPH 213/4885

“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.

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