SCHEMBL3391196

SCHEMBL3391196

Cc1ccc(-c2nnc3c(n2)CCCC3)nc1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ADORA2A P29274 3/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
DRD2 P14416 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 3/20 0.32

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
SCHEMBL2977002 0.84 CDK5 (0.38) HTR2AHTR2CHTR2BPOLBLMNA
SCHEMBL3394428 0.75 KDM4E (0.37) LMNAMAPK14KDM4EADORA2AALDH1A1
SCHEMBL3392775 0.75 NPC1 (0.37) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL716608 0.71 KMT2A (0.52) HTR2AHTR2CHTR2BPOLBKMT2A
SCHEMBL2972887 0.71 CYP11B2 (0.41) HTR2AHTR2CHTR2BHRH3MAOA
SCHEMBL13888932 0.69 NPC1 (0.36) MAPK14NPC1RAB9AMAPT
SCHEMBL2981724 0.69 CDK5 (0.44) HTR2CPOLBLMNAKMT2AKDM4E
SCHEMBL14731033 0.69 TGFBR1 (0.46) HTR2AHTR2CHTR2BPOLBLMNA
SCHEMBL13888929 0.69 STIM1 (0.37) MAPK14ALDH1A1NPC1RAB9AMAPT
SCHEMBL8776954 0.68 CYP1A2 (0.48) POLBLMNAMAPK14ADORA2ASMN1; SMN2

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 8 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
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 HTR2A 665/4885HTR2C 116/4885HTR2B 1036/4885

“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.