SCHEMBL8738751

SCHEMBL8738751

c1cc(-c2ccc3nc(Nc4cc(N5CCOCC5)ccn4)sc3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.52
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CA P42336 1/20 0.44
CDK7 P50613 1/20 0.44

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
SCHEMBL8738709 0.88 HRH4 (0.46) CHEK1IKBKETBK1PIK3CACDK7
SCHEMBL8739802 0.88 CHEK1 (0.55) CHEK1PIK3CACDK7
SCHEMBL29470446 0.86 CHEK1 (0.64) CHEK1IKBKETBK1CDK7
SCHEMBL6125914 0.86 CHEK1 (0.64) CHEK1IKBKETBK1CDK7
SCHEMBL29470354 0.84 FLT3 (0.47) CHEK1PIK3CACDK7
SCHEMBL29470515 0.84 CHEK1 (0.58) CHEK1NPC1RAB9APIK3CACDK7
SCHEMBL15673364 0.84 FLT3 (0.47) CHEK1PIK3CACDK7
SCHEMBL6125664 0.84 CHEK1 (0.58) CHEK1NPC1RAB9APIK3CACDK7
SCHEMBL29470311 0.83 CHEK1 (0.51) CHEK1CDK7
SCHEMBL6118526 0.83 CHEK1 (0.51) CHEK1CDK7

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 395/4885IKBKE 678/4885TBK1 2106/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885IKBKE 678/4885TBK1 2106/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885IKBKE 678/4885TBK1 2106/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885IKBKE 678/4885TBK1 2106/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885IKBKE 678/4885TBK1 2106/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885IKBKE 678/4885TBK1 2106/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885IKBKE 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.