SCHEMBL3389045

SCHEMBL3389045

Cc1cccc(-c2nnc(C)c(C)n2)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
CCR8 P51685 1/20 0.58
CYP2A6 P11509 1/20 0.42
METAP2 P50579 1/20 0.42
TGFBR1 P36897 10/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
IDH1 O75874 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPK14 Q16539 1/20 0.36
GRM5 P41594 1/20 0.35
TGFBR2 P37173 1/20 0.34

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
SCHEMBL3388222 0.90 CCR1 (0.41) CCR1CCR8METAP2HIF1A
SCHEMBL4167622 0.85 CCR1 (0.71) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL3391256 0.76 CCR1 (0.52) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL196966 0.75 CCR1 (1.00) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL30511194 0.75 CCR1 (1.00) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL29388304 0.75 CCR1 (1.00) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL29751933 0.73 CCR1 (0.94) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL20557390 0.73 CCR1 (0.94) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL3423401 0.73 CCR1 (0.94) CCR1CCR8CYP2A6METAP2TGFBR1
SCHEMBL29751919 0.73 CCR1 (0.94) CCR1CCR8CYP2A6METAP2TGFBR1

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
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP claimed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 US claimed
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 EP 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 CCR1 131/4885CCR8 738/4885CYP2A6 72/4885

“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.