Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742989

SCHEMBL19742989

SCHEMBL19742989

Nc1c(S(=O)(=O)N2CCC(F)(F)CC2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CDK6 Q00534 2/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK4 P11802 1/20 0.30

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
SCHEMBL19742985 0.89 MAPK1 (0.34) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19743025 0.89 KMT2A (0.40) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19743046 0.89 KMT2A (0.40) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19743062 0.89 KMT2A (0.40) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19742979 0.85 ADORA3 (0.32) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19742995 0.84 KMT2A (0.39) ADORA3ADORA2AADORA1ALDH1A1MAPK1
SCHEMBL19743060 0.84 ADORA3 (0.34) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19743057 0.84 SMN1; SMN2 (0.40) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19742988 0.84 APOBEC3A (0.39) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19743015 0.84 MEN1 (0.36) ADORA3ADORA2AADORA1ALOX5APFEN1

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 ADORA3 30/4885ADORA2A 144/4885ADORA1 55/4885

“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.