SCHEMBL8739409

SCHEMBL8739409

Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCNCC4)ccn3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.54
CDK7 P50613 3/20 0.49
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
ITK Q08881 1/20 0.43
DYRK2 Q92630 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL8739799 0.91 CHEK1 (0.44) CHEK1CDK7CDK4CCND1ITK
SCHEMBL8738773 0.90 CHEK1 (0.52) CHEK1ITK
SCHEMBL20055744 0.88 CHEK1 (0.42) CHEK1CDK7CDK4CCND1ITK
SCHEMBL20055773 0.88 CHEK1 (0.42) CHEK1CDK7CDK4CCND1ITK
SCHEMBL8738793 0.88 CHEK1 (0.57) CHEK1CDK7CDK4CCND1ITK
SCHEMBL6125831 0.87 CHEK1 (0.41) CHEK1CDK7CDK4CCND1ITK
SCHEMBL29470314 0.87 CHEK1 (0.41) CHEK1CDK7CDK4CCND1ITK
SCHEMBL8739153 0.86 ITK (0.43) CHEK1CDK7CDK4ITKROCK2
SCHEMBL15673154 0.84 CHEK1 (0.40) CHEK1CDK7ITKROCK2
SCHEMBL29470304 0.84 CHEK1 (0.40) CHEK1CDK7ITKROCK2

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 395/4885CDK7 780/4885CDK4 219/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885CDK4 219/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885CDK4 219/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885CDK4 219/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885CDK4 219/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885CDK4 219/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE CHEK1 395/4885CDK7 780/4885CDK4 219/4885

“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.