SCHEMBL3389939

SCHEMBL3389939

CC(C)Cc1nnc(-c2cccc(-c3nnc(CC(C)C)c(CC(C)C)n3)n2)nc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDH1 O75874 3/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
IDH2 P48735 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL3389193 0.76 CCR1 (0.37) KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1944627 0.73 KCNH2 (0.32) KDM4EHPGDALDH1A1CTSSCTSK
SCHEMBL3393079 0.70 KCNH2 (0.38) HPGDGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL2506412 0.69 KDM4E (0.34) KDM4EGABRA1GABRB2SMN1; SMN2
SCHEMBL1948200 0.69 KDM4E (0.34) KDM4EGABRA1GABRB2SMN1; SMN2
SCHEMBL3389652 0.68 GPR84 (0.35) KDM4EIDH1IDH2SMN1; SMN2
SCHEMBL3391256 0.68 CCR1 (0.52) IDH1
SCHEMBL17971497 0.66 MAPT (0.46) TRPM8KDM4EHPGDUSP2HSD17B10
SCHEMBL3388222 0.65 CCR1 (0.41) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL15058689 0.63 TRPM8 (0.38) TRPM8KDM4EHPGDUSP2HSD17B10

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 TRPM8 4377/4885KDM4E 1789/4885HPGD 3455/4885

“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.