SCHEMBL17210586

SCHEMBL17210586

CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)OCCCO3)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 10/20 0.62
CTSK P43235 1/20 0.52
KDM1A O60341 1/20 0.48
POLB P06746 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
LMNA P02545 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RHOA P61586 1/20 0.43

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
SCHEMBL17210584 0.96 KCNH3 (0.64) KCNH3CTSKKDM1APOLBABCB1
SCHEMBL17210576 0.91 KCNH3 (0.64) KCNH3CTSKPOLBLMNACA1
SCHEMBL1122280 0.81 NPC1 (0.55) KDM1AABCB1ABCC1ABCG2LMNA
SCHEMBL30568835 0.79 KCNH3 (1.00) KCNH3CTSKPOLBLMNACA1
SCHEMBL3502544 0.79 MAPT (0.61) KDM1AABCB1ABCC1ABCG2LMNA
SCHEMBL18538932 0.75 KCNH3 (0.68) KCNH3CTSKPOLBLMNACA1
SCHEMBL657416 0.74 KDM1A (0.62) KDM1APOLBABCB1ABCC1ABCG2
SCHEMBL3502973 0.74 MEN1 (0.61) LMNACA1CA2CA9USP2
SCHEMBL24726686 0.73 KCNH3 (0.74) KCNH3CTSKPOLBLMNAMAPT
Hydrochloric Acid SCHEMBL1924295 0.73 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-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 3922/4885KDM1A 615/4885

“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.