SCHEMBL3394428

SCHEMBL3394428

CCc1nnc(-c2ccc(C)c(-c3ccc(F)cc3)n2)nc1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ADORA2A P29274 5/20 0.35
ADORA1 P30542 4/20 0.35
ADORA3 P0DMS8 3/20 0.35
MAPK14 Q16539 3/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ADORA2B P29275 1/20 0.33
PTGS2 P35354 2/20 0.32
DPP4 P27487 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 1/20 0.32
PKM P14618 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3391196 0.75 HTR2A (0.36) KDM4EADORA2AADORA1ADORA3MAPK14
SCHEMBL3391217 0.74 MEN1 (0.31) L3MBTL1
SCHEMBL3389193 0.69 CCR1 (0.37) KDM4EALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL3391256 0.68 CCR1 (0.52) ADORA2AADORA1MAPK14
SCHEMBL8776954 0.67 CYP1A2 (0.48) ADORA2AADORA1MAPK14LMNASMN1; SMN2
SCHEMBL2977002 0.64 CDK5 (0.38) KDM4ELMNAHTT
SCHEMBL1259949 0.64 ALDH1A1 (0.44) KDM4EADORA2AADORA1MAPK14ALDH1A1
SCHEMBL13888925 0.63 STIM1 (0.40) ADORA2AADORA1MAPK14ALDH1A1LMNA
SCHEMBL5014341 0.61 KDM4E (0.42) KDM4EADORA2AADORA1ADORA3ALDH1A1
SCHEMBL12892628 0.61 MAPK14 (0.41) KDM4EADORA2AADORA1MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP disclosed
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP disclosed
CN-101460479-A 3-(pyridin-2-yl)-[1,2,4]-triazines for use as fungicides BASF SE (DE) 2009-06-17 CN disclosed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 US disclosed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 US disclosed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 US disclosed
EP-2010514-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 EP disclosed
WO-2007116078-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 WO disclosed
WO-2007116078-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 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-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides CBR3, CBR1, TH KDM4E 1789/4885ADORA2A 732/4885ADORA1 798/4885

“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.