SCHEMBL17210585

SCHEMBL17210585

CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)C(=O)NC3=O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 11/20 0.62
CTSK P43235 1/20 0.52
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
EGFR P00533 2/20 0.48
SRC P12931 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 2/20 0.48
MEN1 O00255 1/20 0.48
RGS12 O14924 1/20 0.48
GMNN O75496 1/20 0.48
PRKD3 O94806 1/20 0.48
LMNA P02545 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL24700568 0.80 KDM4E (0.50) ABCB1ABCC1ABCG2EGFRSRC
SCHEMBL27369690 0.79 EGFR (0.68) ABCB1ABCC1ABCG2EGFRSRC
SCHEMBL30568835 0.79 KCNH3 (1.00) KCNH3CTSKKDM4EALDH1A1MEN1
SCHEMBL23139610 0.78 KDM4E (0.48) ABCB1ABCC1ABCG2EGFRKDM4E
SCHEMBL4081850 0.76 KDM4E (0.61) EGFRKDM4EALDH1A1GLAMEN1
SCHEMBL23786200 0.76 POLB (0.47) ABCB1ABCC1ABCG2EGFRKDM4E
SCHEMBL27256156 0.75 KMT2A (0.48) ABCB1ABCC1ABCG2EGFRSRC
SCHEMBL17210571 0.73 KCNH3 (0.64) KCNH3CTSKMAPTPOLBCA1
SCHEMBL24726686 0.73 KCNH3 (0.74) KCNH3CTSKMEN1LMNAMAPT
SCHEMBL18538932 0.73 KCNH3 (0.68) KCNH3CTSKALDH1A1MEN1LMNA

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 198/4885CTSK 3922/4885ABCB1 3574/4885

“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.