SCHEMBL3390338

SCHEMBL3390338

CCc1nnc(-c2cc(OC)cc(-c3ccccn3)n2)nc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.49
HIF1A Q16665 2/20 0.42
CRHR1 P34998 1/20 0.42
FFAR1 O14842 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.40
GRM5 P41594 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL197885 0.82 HSP90AA1 (0.66) HSP90AA1HIF1ACRHR1FFAR1ADORA3
SCHEMBL3389193 0.74 CCR1 (0.37) HSP90AA1CCR1CCR5CCR8SMN1; SMN2
SCHEMBL6130670 0.73 HSP90AA1 (0.56) HSP90AA1HIF1AFFAR1CCR1CCR5
SCHEMBL4735238 0.73 HSP90AA1 (0.59) HSP90AA1HIF1ACRHR1FFAR1ADORA3
SCHEMBL2536206 0.73 CCR1 (0.55) HSP90AA1HIF1AFFAR1CCR1CCR5
SCHEMBL14615313 0.72 HSP90AA1 (0.58) HSP90AA1HIF1ACRHR1FFAR1ADORA3
SCHEMBL1366769 0.72 HSP90AA1 (0.58) HSP90AA1HIF1ACRHR1FFAR1ADORA3
SCHEMBL8513636 0.71 HSP90AA1 (0.54) HSP90AA1HIF1ACRHR1FFAR1ADORA3
Caerulomycinonitrile SCHEMBL8515198 0.71 HSP90AA1 (0.54) HSP90AA1FFAR1ADORA3CCR1CCR5
Caerulomycin F SCHEMBL29884857 0.71 HSP90AA1 (0.58) HSP90AA1HIF1ACRHR1FFAR1ADORA3

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 HSP90AA1 3945/4885HIF1A 3319/4885CRHR1 946/4885

“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.