Sugi Predict

Sugi Predict / Compounds / SCHEMBL3301900

SCHEMBL3301900

SCHEMBL3301900

Cc1cccc(-c2c(C)c(C#N)c3nc(C4CC4)oc3c2N2CC[C@H](N(C)C)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ MAPK8 P45983 2/20 0.35

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
SCHEMBL3293658 0.93 EGLN2 (0.38) PDCD1CD274HRH4EGLN2KDM1A
SCHEMBL3294098 0.92 PDCD1 (0.35) PDCD1CD274HRH4EGLN2HTR1D
SCHEMBL3295094 0.92 HRH4 (0.36) PDCD1CD274HRH4EGLN2KDM4E
SCHEMBL3296072 0.92 HRH4 (0.42) PDCD1CD274HRH4EGLN2MEN1
SCHEMBL3301498 0.91 HTR1D (0.38) PDCD1CD274HRH4EGLN2HTR1D
SCHEMBL3293349 0.91 RPS6KB1 (0.35) PDCD1CD274HRH4EGLN2HTR1D
SCHEMBL3296431 0.90 PDCD1 (0.38) PDCD1CD274HRH4EGLN2MEN1
SCHEMBL3294359 0.90 PDCD1 (0.35) PDCD1CD274HRH4EGLN2HTR1D
SCHEMBL3300775 0.90 PDCD1 (0.35) PDCD1CD274HRH4EGLN2KDM4E
SCHEMBL3297857 0.88 HTR1D (0.37) PDCD1CD274HRH4EGLN2KDM4E

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.