SCHEMBL19742988

SCHEMBL19742988

CN1CCN(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 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
SCHEMBL19743062 0.91 KMT2A (0.40) MAPK1KMT2AMEN1ADORA3ADORA2A
SCHEMBL19743046 0.91 KMT2A (0.40) MAPK1KMT2AMEN1ADORA3ADORA2A
SCHEMBL19743025 0.91 KMT2A (0.40) MAPK1KMT2AMEN1ADORA3ADORA2A
SCHEMBL19742995 0.89 KMT2A (0.39) MAPK1KMT2AMEN1ADORA3ADORA2A
SCHEMBL19742985 0.87 MAPK1 (0.34) MAPK1KMT2AMEN1CYP3A4ADORA3
SCHEMBL19743015 0.86 MEN1 (0.36) MAPK1KMT2AMEN1CYP3A4ADORA3
SCHEMBL19743057 0.86 SMN1; SMN2 (0.40) KMT2AMEN1NPSR1ADORA3ADORA2A
SCHEMBL19743060 0.86 ADORA3 (0.34) MAPK1KMT2AMEN1CYP3A4ADORA3
SCHEMBL19743019 0.86 HSD11B1 (0.39) MAPK1ADORA3ADORA2AADORA1KDM4E
SCHEMBL19743053 0.85 MEN1 (0.36) MAPK1KMT2AMEN1ADORA3ADORA2A

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 APOBEC3A 2659/4885APOBEC3G 2156/4885MAPK1 3232/4885

“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.