SCHEMBL2967384

SCHEMBL2967384

Nc1cc(C(=O)NCCN2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.66
EPHX2 P34913 4/20 0.61
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HTR1A P08908 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
KCNH2 Q12809 1/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL29658344 1.00 CD274 (0.66) CD274EPHX2TSHRALDH1A1HTR1A
SCHEMBL28735408 0.89 MEN1 (0.60) CD274EPHX2ALDH1A1KCNH2CYP1A2
SCHEMBL29658372 0.89 MEN1 (0.63) CD274EPHX2ALDH1A1KCNH2POLB
SCHEMBL28735422 0.89 MEN1 (0.63) CD274EPHX2ALDH1A1KCNH2POLB
SCHEMBL29658312 0.89 MEN1 (0.60) CD274EPHX2ALDH1A1KCNH2CYP1A2
SCHEMBL28735420 0.88 MEN1 (0.62) CD274EPHX2ALDH1A1KCNH2KDM4E
SCHEMBL29658388 0.88 MEN1 (0.62) CD274EPHX2ALDH1A1KCNH2KDM4E
SCHEMBL28735410 0.85 MEN1 (0.49) CD274EPHX2TSHRHTR1AKCNH2
SCHEMBL28735456 0.85 MEN1 (0.49) CD274EPHX2HTR1AKCNH2
SCHEMBL15516267 0.83 EPHX2 (0.62) CD274EPHX2TSHRALDH1A1HTR1A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
CN-114478366-A Pyridone derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-13 CN disclosed
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
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 US disclosed
US-9790209-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 EP disclosed
US-20160340343-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150225373-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-08-13 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
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP 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
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (6 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 CD274 3050/4885EPHX2 778/4885TSHR 3222/4885
US-20150225373-A1 KINASE INHIBITORS SYK, SRC, BTK CD274 2589/4885EPHX2 1633/4885TSHR 1980/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 CD274 3050/4885EPHX2 778/4885TSHR 3222/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 CD274 4013/4885EPHX2 1269/4885TSHR 2958/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK CD274 2896/4885EPHX2 1905/4885TSHR 1664/4885
US-20160340343-A1 KINASE INHIBITORS SYK, LYN, BTK CD274 2958/4885EPHX2 1516/4885TSHR 2007/4885

“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.