SCHEMBL8738709

SCHEMBL8738709

CN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)cc4s3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
ABL1 P00519 1/20 0.44
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
LYN P07948 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT1 P31749 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43
PRKX P51817 1/20 0.43
NEK4 P51957 1/20 0.43
PRKCD Q05655 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL8739802 0.88 CHEK1 (0.55) HRH4ABL1ROCK2MAP4K4PRKCG
SCHEMBL8738751 0.88 CHEK1 (0.52) IKBKETBK1CHEK1CDK7PIK3CA
SCHEMBL29470515 0.88 CHEK1 (0.58) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL6125664 0.88 CHEK1 (0.58) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL15673364 0.88 FLT3 (0.47) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL29470354 0.88 FLT3 (0.47) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL8739170 0.87 PIK3CA (0.41) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL29470390 0.87 ABL1 (0.42) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL6119778 0.87 ABL1 (0.42) ABL1ROCK2MAP4K4PRKCGLYN
SCHEMBL6125937 0.86 CHEK1 (0.51) HRH4IKBKETBK1DYRK1ACHEK1

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 HRH4 9/4885IKBKE 678/4885TBK1 2106/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE HRH4 9/4885IKBKE 678/4885TBK1 2106/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE HRH4 9/4885IKBKE 678/4885TBK1 2106/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE HRH4 9/4885IKBKE 678/4885TBK1 2106/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE HRH4 9/4885IKBKE 678/4885TBK1 2106/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE HRH4 9/4885IKBKE 678/4885TBK1 2106/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE HRH4 9/4885IKBKE 678/4885TBK1 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.