SCHEMBL3389652

SCHEMBL3389652

CC(C)c1nnc(-c2cccc(-c3nnc(C(C)C)c(C(C)C)n3)n2)nc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
IDH1 O75874 12/20 0.33
CCR1 P32246 2/20 0.32
CCR8 P51685 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 2/20 0.32
IDH2 P48735 4/20 0.31
TP53 P04637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
ALPL P05186 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CCR5 P51681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.68 CCR1 (0.41) CCR1CCR8MEN1RAB9AKMT2A
SCHEMBL3389939 0.68 TRPM8 (0.41) IDH1IDH2KDM4ESMN1; SMN2
SCHEMBL3392760 0.65 SMN1; SMN2 (0.46) CCR1CCR8MEN1RAB9AKMT2A
SCHEMBL3389193 0.64 CCR1 (0.37) CCR1CCR8MEN1RAB9AKMT2A
SCHEMBL13604894 0.63 TP53 (0.44) MEN1RAB9AKMT2ATP53ALOX15
SCHEMBL4167622 0.63 CCR1 (0.71) IDH1CCR1CCR8MEN1RAB9A
SCHEMBL31028755 0.62 POLB (0.36) HTTKDM4ELMNA
SCHEMBL1944627 0.62 KCNH2 (0.32) CCR1CCR8MEN1RAB9AKMT2A
SCHEMBL13150847 0.61 MAPT (0.53) MEN1RAB9AKMT2AHTTTP53
SCHEMBL14431324 0.61 GPR84 (0.41) GPR84KDM4EMAPK1SMN1; SMN2TDP1

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 4 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
CN-102614683-B Method for separating element palladium and sub-actinide elements from high-level waste UNIV ZHEJIANG 2014-01-15 CN disclosed
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 GPR84 1311/4885IDH1 541/4885CCR1 131/4885

“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.