SCHEMBL8739422

SCHEMBL8739422

COCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5C)cc4s3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.48
KDR P35968 1/20 0.47
LCK P06239 1/20 0.46
ITK Q08881 1/20 0.46

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
SCHEMBL15673379 0.89 ITK (0.46) TBK1LCKITK
SCHEMBL29470526 0.89 ITK (0.46) TBK1LCKITK
SCHEMBL8739147 0.88 CHEK1 (0.52) TBK1KDRLCK
SCHEMBL8738692 0.87 LCK (0.46) TBK1KDRLCKITK
SCHEMBL6125809 0.87 KDR (0.47) TBK1KDR
SCHEMBL29470452 0.87 KDR (0.47) TBK1KDR
SCHEMBL8739539 0.87 KDR (0.47) TBK1KDRLCKITK
SCHEMBL6125764 0.87 KDR (0.49) TBK1KDRLCKITK
SCHEMBL29470296 0.87 KDR (0.49) TBK1KDRLCKITK
SCHEMBL20055935 0.86 ITK (0.44) TBK1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298031-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-10-18 US claimed
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2016-12-01 US claimed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US claimed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 US disclosed
US-11186593-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2021-11-30 US disclosed
US-11186593-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2021-11-30 US disclosed
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-07-09 US disclosed
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2016-12-01 US disclosed
US-9266874-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-02-23 US disclosed
US-9266874-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-02-23 US disclosed
US-9266874-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-02-23 US disclosed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 US disclosed
EP-2730564-A1 Heterocycle amines and uses thereof Ligand Pharmaceuticals Inc. (US) 2014-05-14 EP disclosed
WO-2012068546-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 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 (7 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-20180298031-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE TBK1 2106/4885KDR 4125/4885LCK 212/4885

“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.