SCHEMBL17204271

SCHEMBL17204271

CC(C)Nc1nc(Nc2ccccc2)nc(Nc2cccc(Cc3ccccc3)c2)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 14/20 0.69
CTSK P43235 1/20 0.57
POLB P06746 1/20 0.54
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
RHOA P61586 1/20 0.44
IDH2 P48735 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
SCHEMBL17204486 0.90 KCNH3 (0.76) KCNH3CTSKPOLBCA1CA2
SCHEMBL15102339 0.86 KCNH3 (0.73) KCNH3CTSKPOLBCA1CA2
SCHEMBL30568835 0.83 KCNH3 (1.00) KCNH3CTSKPOLBCA1CA2
SCHEMBL17203668 0.81 KCNH3 (0.66) KCNH3CTSKPOLBCA1CA2
SCHEMBL17204292 0.81 KCNH3 (0.63) KCNH3CTSKPOLB
SCHEMBL13302606 0.80 TDP1 (0.57) KCNH3
SCHEMBL24726686 0.80 KCNH3 (0.74) KCNH3CTSKPOLB
SCHEMBL15102390 0.80 ABCG2 (0.59) KCNH3CTSKPOLBIDH2
SCHEMBL15102183 0.78 KCNH3 (0.53) KCNH3CTSKPOLBIDH2
SCHEMBL29560694 0.78 KCNH3 (0.53) KCNH3CTSKPOLBIDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US disclosed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP disclosed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US disclosed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 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 (2 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-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 KCNH3 95/4885CTSK 4129/4885POLB 2249/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 KCNH3 97/4885CTSK 4147/4885POLB 2233/4885

“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.