Sugi Predict

Sugi Predict / Compounds / SCHEMBL3295295

SCHEMBL3295295

SCHEMBL3295295

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(N3CC(NS(C)(=O)=O)C3)nc2c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ MRGPRX2 Q96LB1 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ MAPK10 P53779 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MCHR1 Q99705 3/20 0.32
▸ ATR Q13535 1/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL3296758 0.90 MCHR1 (0.37) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL4800631 0.88 SMPD3 (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3300554 0.87 MCHR1 (0.36) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295055 0.86 HTR1D (0.37) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295980 0.86 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL4440811 0.86 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3294312 0.86 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3296134 0.86 HTR1D (0.35) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3294430 0.86 ADORA2A (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3297399 0.85 MCHR1 (0.38) HTR1DHTR3AHTR6TMEM97MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 — — US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 — — US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 — — 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS HTR1D 4077/4885HTR3A 4632/4885HTR6 4512/4885

“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.