Sugi Predict

Sugi Predict / Compounds / SCHEMBL83961

SCHEMBL83961

SCHEMBL83961

CNc1ncc(C(C)(C)C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.39
▸ PGK1 P00558 2/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ HPGD P15428 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ RIPK2 O43353 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
SCHEMBL13524646 0.76 PGK1 (0.41) LRRK2PGK1CYP3A4ALDH1A1CYP1A2
SCHEMBL12458404 0.76 PIK3CA (0.38) CYP3A4ALDH1A1TDO2HPGDLMNA
SCHEMBL19803233 0.76 TDO2 (0.37) CYP3A4ALDH1A1TDO2HPGDLMNA
SCHEMBL20047571 0.76 TDO2 (0.37) CYP3A4ALDH1A1TDO2HPGDLMNA
SCHEMBL24760726 0.74 PGK1 (0.40) LRRK2PGK1CYP3A4ALDH1A1CYP1A2
SCHEMBL14833752 0.74 GAA (0.40) LRRK2PGK1CYP3A4ALDH1A1CYP1A2
SCHEMBL22042410 0.74 MAPT (0.43) PGK1CYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL84338 0.74 FYN (0.40) TDO2TGFBR1FGFR2
SCHEMBL17996185 0.74 ALDH1A1 (0.38) CYP3A4ALDH1A1TDO2HPGDLMNA
SCHEMBL16472463 0.74 APP (0.38) —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
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
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 (2 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 LRRK2 490/4885PGK1 510/4885CYP3A4 4401/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS LRRK2 714/4885PGK1 590/4885CYP3A4 3917/4885

“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.