Sugi Predict

Sugi Predict / Compounds / SCHEMBL3295402

SCHEMBL3295402

SCHEMBL3295402

Cc1c(C#N)c(N)c(N)c(N2CC[C@H](N(C)C)C2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ MRGPRX2 Q96LB1 2/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ MCHR1 Q99705 2/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR3A P46098 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ ADORA2A P29274 4/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL3293740 0.86 ALDH1A1 (0.36) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL3295998 0.82 MCHR1 (0.41) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL3295916 0.81 HTR1D (0.39) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL3297327 0.81 HTR1D (0.39) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL3295972 0.79 HTR1D (0.38) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL4797396 0.79 HTR1D (0.40) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL3294469 0.78 HTR1D (0.39) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL3295029 0.77 PDCD1 (0.37) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL3301498 0.77 HTR1D (0.38) MAPK8BTKMRGPRX2MAPK10MCHR1
SCHEMBL3295980 0.76 HTR1D (0.38) MAPK8BTKMRGPRX2MAPK10HTR1D

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 MAPK8 2093/4885BTK 3075/4885MRGPRX2 2501/4885

“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.