SCHEMBL8739830

SCHEMBL8739830

O=C(N[C@H]1CCNC1)c1ccnc(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.43
ITK Q08881 5/20 0.43
USP30 Q70CQ3 5/20 0.42
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 3/20 0.41
OTUD7B Q6GQQ9 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 2/20 0.40

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
SCHEMBL15673347 1.00 LCK (0.43) LCKITKUSP30ROCK2ROCK1
SCHEMBL29470323 1.00 LCK (0.43) LCKITKUSP30ROCK2ROCK1
SCHEMBL20055807 0.91 LCK (0.42) LCKITKUSP30ROCK2ROCK1
SCHEMBL15673274 0.89 ITK (0.43) LCKITKCHEK1ABL1
SCHEMBL15673273 0.89 ITK (0.43) LCKITKCHEK1ABL1
SCHEMBL29470486 0.89 BTK (0.45) LCKITKABL1
SCHEMBL15673123 0.89 BTK (0.45) LCKITKABL1
SCHEMBL8739842 0.89 BTK (0.45) LCKITKABL1
SCHEMBL15673492 0.87 ABL1 (0.49) LCKITKCHEK1ABL1
SCHEMBL8739811 0.87 LCK (0.43) LCKITKUSP30ROCK2OTUD7B

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 LCK 212/4885ITK 829/4885USP30 4536/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE LCK 212/4885ITK 829/4885USP30 4536/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE LCK 212/4885ITK 829/4885USP30 4536/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE LCK 212/4885ITK 829/4885USP30 4536/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE LCK 212/4885ITK 829/4885USP30 4536/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE LCK 212/4885ITK 829/4885USP30 4536/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE LCK 212/4885ITK 829/4885USP30 4536/4885

“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.