SCHEMBL2969839

SCHEMBL2969839

CCN(CC)CCOc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.50
CHRNA7 P36544 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL5497990 0.94 PRMT5 (0.49) PRMT5WDR77MAPTKMT2AKCNH2
SCHEMBL2976365 0.90 MAPT (0.50) PRMT5WDR77MAPTKMT2AKCNH2
SCHEMBL1665803 0.86 MAPT (0.55) MAPTKMT2AKCNH2CHRNA7SMN1; SMN2
SCHEMBL14038420 0.85 MAPT (0.55) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL24623020 0.83 MAPT (0.57) MAPTKMT2AKCNH2CHRNA7ALDH1A1
SCHEMBL2207948 0.83 ALDH1A1 (0.49) PRMT5WDR77MAPTKMT2ASMN1; SMN2
SCHEMBL14453653 0.83 KDM4E (0.56) MAPTKMT2AKCNH2CHRNA7ALDH1A1
SCHEMBL5260747 0.82 CHRNB2 (0.48) PRMT5WDR77MAPTKMT2AKCNH2
SCHEMBL25435452 0.82 ALDH1A1 (0.56) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11838962 0.82 MAPT (0.60) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 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 (3 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 PRMT5 1037/4885WDR77 2567/4885MAPT 4468/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 PRMT5 1037/4885WDR77 2567/4885MAPT 4468/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 PRMT5 463/4885WDR77 2829/4885MAPT 4333/4885

“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.