SCHEMBL8739799

SCHEMBL8739799

Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(C)CC4)ccn3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.44
ITK Q08881 1/20 0.43
ROCK2 O75116 1/20 0.41
CDK7 P50613 1/20 0.39
HRH4 Q9H3N8 3/20 0.39
APP P05067 2/20 0.39
MAP4K1 Q92918 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL20055744 0.97 CHEK1 (0.42) CHEK1ITKROCK2CDK7HRH4
SCHEMBL8739409 0.91 CHEK1 (0.54) CHEK1ITKROCK2CDK7HRH4
SCHEMBL8738773 0.90 CHEK1 (0.52) CHEK1ITK
SCHEMBL20055773 0.90 CHEK1 (0.42) CHEK1ITKROCK2CDK7CDK4
SCHEMBL8738793 0.90 CHEK1 (0.57) CHEK1ITKROCK2CDK7CDK4
SCHEMBL8739153 0.89 ITK (0.43) CHEK1ITKROCK2CDK7MAP4K1
SCHEMBL6125831 0.89 CHEK1 (0.41) CHEK1ITKROCK2CDK7CDK4
SCHEMBL29470314 0.89 CHEK1 (0.41) CHEK1ITKROCK2CDK7CDK4
SCHEMBL15673154 0.87 CHEK1 (0.40) CHEK1ITKROCK2CDK7TBK1
SCHEMBL29470304 0.87 CHEK1 (0.40) CHEK1ITKROCK2CDK7TBK1

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 33 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 CHEK1 395/4885ITK 829/4885ROCK2 2616/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885ITK 829/4885ROCK2 2616/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885ITK 829/4885ROCK2 2616/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885ITK 829/4885ROCK2 2616/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885ITK 829/4885ROCK2 2616/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885ITK 829/4885ROCK2 2616/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885ITK 829/4885ROCK2 2616/4885

“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.