SCHEMBL91419

SCHEMBL91419

CCC(C)(C)c1cnc(N)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FYN P06241 3/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
DHFR P00374 3/20 0.33
TLR8 Q9NR97 1/20 0.33
NUDT1 P36639 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL84338 0.82 FYN (0.40) FYNDHFRTLR8
SCHEMBL22752296 0.81 PIK3CA (0.35) MEN1ALDH1A1KMT2A
SCHEMBL19257543 0.80 ALDH1A1 (0.33) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL20354679 0.77 CYP1A2 (0.47) MAPTRAB9AFYNKDM4EGAA
SCHEMBL19558777 0.77 MAPT (0.45) MAPTNPC1RAB9ANUDT1CYP3A4
SCHEMBL2032329 0.76 P2RX3 (0.34) FYNP2RX3P2RX2KDM4EGAA
SCHEMBL20458857 0.73 MAP3K12 (0.39) MAPTNPC1RAB9A
SCHEMBL23951689 0.72 PGK1 (0.40)
SCHEMBL91322 0.72 PTGS2 (0.48) P2RX3P2RX2DHFRMEN1SLC22A1
SCHEMBL16235394 0.71 FYN (0.42) MAPTFYNP2RX3P2RX2TLR8

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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS MAPT 3320/4885NPC1 4113/4885RAB9A 1118/4885

“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.