SCHEMBL17210583

SCHEMBL17210583

CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 9/20 0.62
CDC7 O00311 1/20 0.54
CTSK P43235 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
KDR P35968 5/20 0.48
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL17210571 0.81 KCNH3 (0.64) KCNH3CTSKNPC1RAB9APOLB
SCHEMBL5410108 0.79 ROCK2 (0.62) CDC7ROCK2ROCK1NPC1JAK2
SCHEMBL30568835 0.79 KCNH3 (1.00) KCNH3CTSKPOLB
SCHEMBL3582538 0.77 ULK1 (0.66) ROCK2
SCHEMBL12749859 0.76 WEE1 (0.67) CDC7ROCK1KDRJAK2
SCHEMBL17210581 0.73 KCNH3 (0.64) KCNH3CTSKPOLB
SCHEMBL24726686 0.73 KCNH3 (0.74) KCNH3CTSKPOLB
SCHEMBL18538932 0.73 KCNH3 (0.68) KCNH3CTSKNPC1RAB9APOLB
Hydrochloric Acid SCHEMBL1924295 0.73 KCNH3 (1.00) KCNH3CTSK
SCHEMBL17210585 0.72 KCNH3 (0.62) KCNH3CTSKPOLB

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-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 US disclosed
US-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 US disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 US disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 US disclosed
WO-2015162169-A1 DIAMINOTRIAZINE COMPOUNDS 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 (1 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-20170050954-A1 Diaminotriazine Compounds as Herbicides NR4A3, RXRB, CBR3 KCNH3 198/4885CDC7 3162/4885CTSK 3922/4885

“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.