SCHEMBL17110683

SCHEMBL17110683

N#Cc1ccc(Nc2nc(N)nc(Nc3c(F)c(F)c(F)c(F)c3F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.48
▸ KCNH2 Q12809 2/20 0.44
▸ SCN9A Q15858 2/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ CTSK P43235 2/20 0.43
▸ CTSS P25774 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ TERT O14746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ABCC3 O15438 1/20 0.41
▸ ESR1 P03372 1/20 0.41

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
SCHEMBL15277707 0.83 CYP2C19 (0.47) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL6383405 0.81 KCNH2 (0.47) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL28736305 0.81 NPC1 (0.49) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL14940587 0.81 CYP2C9 (0.47) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL17110558 0.80 SYK (0.43) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL6378871 0.80 MAPK1 (0.45) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL1182764 0.80 CYP2C9 (0.49) KCNH2SCN9ASCN5ACTSKCTSS
SCHEMBL21914834 0.79 CTSK (0.58) SYKKCNH2SCN9ASCN5ACTSK
SCHEMBL1181741 0.79 CYP2C9 (0.51) KCNH2SCN9ASCN5ACTSKCTSS
SCHEMBL16678819 0.78 CYP2C19 (0.51) SYKKCNH2SCN9ASCN5ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 — — US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 — — EP disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 — — 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-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 SYK 3298/4885KCNH2 64/4885SCN9A 3140/4885

“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.

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