SCHEMBL8739147

SCHEMBL8739147

COCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cn[nH]c5)cc4s3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
KDR P35968 2/20 0.48
TBK1 Q9UHD2 14/20 0.48
LTA4H P09960 2/20 0.47
LCK P06239 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
SCHEMBL29470441 0.91 KDR (0.57) CHEK1KDRTBK1LCK
SCHEMBL15673237 0.91 KDR (0.57) CHEK1KDRTBK1LCK
SCHEMBL8738790 0.89 TBK1 (0.49) KDRTBK1LCK
SCHEMBL29470425 0.89 CHEK1 (0.48) CHEK1KDRTBK1LTA4H
SCHEMBL6125890 0.89 CHEK1 (0.48) CHEK1KDRTBK1LTA4H
SCHEMBL8739422 0.88 TBK1 (0.48) KDRTBK1LCK
SCHEMBL29470332 0.88 CHEK1 (0.45) CHEK1TBK1LCK
SCHEMBL15673428 0.88 CHEK1 (0.45) CHEK1TBK1LCK
SCHEMBL20055933 0.88 KDR (0.47) KDRTBK1LCK
SCHEMBL8739542 0.87 LCK (0.45) KDRTBK1LCK

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 34 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-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
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 CHEK1 395/4885KDR 4125/4885TBK1 2106/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885KDR 4125/4885TBK1 2106/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885KDR 4125/4885TBK1 2106/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885KDR 4125/4885TBK1 2106/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885KDR 4125/4885TBK1 2106/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885KDR 4125/4885TBK1 2106/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885KDR 4125/4885TBK1 2106/4885

“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.