Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742985

SCHEMBL19742985

SCHEMBL19742985

CC1(C)CCN(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ CDK6 Q00534 5/20 0.32
▸ CCND1 P24385 4/20 0.32
▸ CCNE1 P24864 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL19742979 0.94 ADORA3 (0.32) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19742989 0.89 ADORA3 (0.33) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19743062 0.89 KMT2A (0.40) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19743046 0.89 KMT2A (0.40) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19743025 0.89 KMT2A (0.40) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19742972 0.89 ADORA3 (0.32) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19742995 0.87 KMT2A (0.39) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19742988 0.87 APOBEC3A (0.39) MAPK1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19743057 0.84 SMN1; SMN2 (0.40) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19743060 0.84 ADORA3 (0.34) MAPK1ADORA3ADORA2AADORA1ALDH1A1

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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 — — US claimed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 — — US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 — — 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 (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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 MAPK1 3232/4885ADORA3 30/4885ADORA2A 144/4885

“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.