SCHEMBL2970873

SCHEMBL2970873

Nc1cccc(OCCCN2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
LTA4H P09960 1/20 0.68
ALDH1A1 P00352 3/20 0.63
TSHR P16473 1/20 0.63
HRH3 Q9Y5N1 7/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
BACE1 P56817 1/20 0.57

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
SCHEMBL17372602 0.98 LTA4H (0.70) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL3216190 0.92 LTA4H (0.79) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL3209561 0.92 LTA4H (0.79) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL264157 0.91 LTA4H (0.81) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL12005680 0.87 HRH3 (0.63) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL2230279 0.85 ALDH1A1 (0.65) KDM4ELTA4HALDH1A1TSHRHRH3
SCHEMBL14048215 0.85 LTA4H (0.54) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL14048169 0.83 LTA4H (0.52) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL14048273 0.83 LTA4H (0.52) KDM4EL3MBTL1LTA4HALDH1A1TSHR
SCHEMBL11983507 0.82 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1TSHRHRH3

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 23 patents — showing the first 20. 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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 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-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 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 KDM4E 1696/4885L3MBTL1 2876/4885LTA4H 351/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 KDM4E 1696/4885L3MBTL1 2876/4885LTA4H 351/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KDM4E 1444/4885L3MBTL1 3651/4885LTA4H 1027/4885

“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.