SCHEMBL17204352

SCHEMBL17204352

CC(C)Nc1nc(Nc2ccccc2)nc(Nc2cccc(Oc3ccccc3)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.71
CTSK P43235 1/20 0.57
POLB P06746 1/20 0.54
SYK P43405 1/20 0.46
TSHR P16473 1/20 0.46
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
SCHEMBL17203893 0.90 KCNH3 (0.76) KCNH3CTSKPOLBTSHRCA1
SCHEMBL30568835 0.83 KCNH3 (1.00) KCNH3CTSKPOLBTSHRCA1
SCHEMBL17204292 0.83 KCNH3 (0.63) KCNH3CTSKPOLBSYK
SCHEMBL7948381 0.80 TDP1 (0.57) KCNH3POLBTSHR
SCHEMBL24726686 0.80 KCNH3 (0.74) KCNH3CTSKPOLB
SCHEMBL15131283 0.78 KCNH3 (0.70) KCNH3CTSK
SCHEMBL17204271 0.78 KCNH3 (0.69) KCNH3CTSKPOLBCA1CA2
SCHEMBL4544861 0.77 KCNH3 (0.70) KCNH3POLBSYKTSHR
SCHEMBL4544834 0.77 KCNH3 (0.70) KCNH3POLBSYKTSHR
Hydrochloric Acid SCHEMBL1924295 0.77 KCNH3 (1.00) KCNH3CTSK

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 5 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
CN-106232586-A Diaminotriazine compounds and their use as herbicides 巴斯夫欧洲公司 2016-12-14 CN 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.