Sugi Predict

Sugi Predict / Compounds / SCHEMBL3296228

SCHEMBL3296228

SCHEMBL3296228

Cc1c(-c2cccc(N)c2)c(N2CC[C@H](N(C)C)C2)c2oc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ HTR1D P28221 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ BTK Q06187 2/20 0.33
▸ MRGPRX2 Q96LB1 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ KDM1A O60341 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
SCHEMBL4314510 0.91 PDCD1 (0.35) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3295076 0.91 PDCD1 (0.35) PDCD1CD274HRH4HTR1DHTR3A
Hydrochloric Acid SCHEMBL3301893 0.89 HTR1D (0.37) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3296327 0.89 PDCD1 (0.37) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3294098 0.88 PDCD1 (0.35) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3293605 0.87 USP30 (0.36) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3294135 0.84 HTR1D (0.37) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3297025 0.84 HTR1D (0.37) PDCD1CD274HRH4HTR1DHTR3A
SCHEMBL3297630 0.83 ADORA2A (0.33) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295971 0.83 ALDH1A1 (0.34) PDCD1CD274HRH4EGLN2

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 PDCD1 2373/4885CD274 3465/4885HRH4 4128/4885

“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.