SCHEMBL19257097

SCHEMBL19257097

CCC(C)(C)c1cnc(C)c(NS(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.39
PIK3C3 Q8NEB9 6/20 0.36
PIK3CA P42336 4/20 0.33
BRAF P15056 2/20 0.33
ADRA2A P08913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL19257395 0.90 CYP17A1 (0.37) CYP17A1BRAFADRA2AALDH1A1HSD17B10
SCHEMBL18595671 0.89 CYP17A1 (0.41) CYP17A1PIK3C3PIK3CABRAFADRA2A
SCHEMBL18024067 0.82 CYP17A1 (0.46) CYP17A1PIK3C3PIK3CABRAFADRA2A
SCHEMBL17996190 0.77 BRD4 (0.40) PIK3C3PIK3CAALDH1A1HSD17B10LMNA
SCHEMBL19257549 0.77 SLC22A12 (0.42) CYP17A1CTSSCTSKPPARGPPARA
SCHEMBL18595668 0.77 CYP17A1 (0.39) CYP17A1BRAFADRA2AALDH1A1HSD17B10
SCHEMBL18024066 0.72 CYP17A1 (0.45) CYP17A1BRAFADRA2AALDH1A1CTSS
SCHEMBL29338792 0.68 PIK3C3 (0.39) CYP17A1PIK3C3PIK3CAALDH1A1HSD17B10
SCHEMBL24609148 0.68 PIK3C3 (0.44) PIK3C3PIK3CAALDH1A1LMNA
SCHEMBL18595669 0.67 BRD4 (0.44) PIK3C3PIK3CAALDH1A1HSD17B10LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 US disclosed
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 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 (2 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-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 CYP17A1 1111/4885PIK3C3 13/4885PIK3CA 8/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 CYP17A1 1111/4885PIK3C3 13/4885PIK3CA 8/4885

“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.