SCHEMBL18166990

SCHEMBL18166990

CC(C)(C)c1ncc(CO)o1.COC(=O)Cc1cnc(C(C)(C)C)o1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PPOX P50336 3/20 0.30
ACACA Q13085 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
SCHEMBL19179848 0.94 CCNE2 (0.41) CCNE2CCNE1CDK2PIK3CAPIK3CG
SCHEMBL18167004 0.83 CCNE2 (0.36) CCNE2CCNE1CDK2PIK3CAPIK3CG
SCHEMBL873455 0.73 HSP90AB1 (0.38) CCNE1CDK2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL15661443 0.72 HTT (0.40) CYP4F2CYP4A11MAPTSMN1; SMN2HSP90AB1
SCHEMBL12617050 0.67 HDAC1 (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL21366512 0.66 MITF (0.42) CYP4F2CYP4A11MAPTLMNASMN1; SMN2
SCHEMBL17109715 0.66 PIK3CG (0.36) CCNE2CCNE1CDK2PIK3CAPIK3CG
SCHEMBL13561299 0.66 PIK3CG (0.36) CCNE2CCNE1CDK2PIK3CAPIK3CG
SCHEMBL17507861 0.65 CYP4F2 (0.44) CYP4F2CYP4A11LMNASMN1; SMN2HSP90AB1
SCHEMBL17581887 0.65 HSP90AB1 (0.50) CYP4F2CYP4A11MAPTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G CCNE2 712/4885CCNE1 1174/4885CDK2 719/4885

“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.