SCHEMBL18010004

SCHEMBL18010004

CCS(=O)(=O)Nc1cc(C)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.49
PGR P06401 2/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
BRD4 O60885 1/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 4/20 0.36
MRGPRX1 Q96LB2 2/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL17996192 0.80 PSIP1 (0.45) PSIP1PGRALOX5APFEN1BRD4
SCHEMBL19257396 0.77 PSIP1 (0.43) PSIP1PGRALOX5APFEN1BRD4
SCHEMBL15108222 0.74 PSIP1 (0.53) PSIP1PGRBRD4JAK2JAK1
SCHEMBL19303545 0.73 BRD4 (0.46) PSIP1ALOX5APFEN1BRD4JAK2
SCHEMBL18595670 0.73 PSIP1 (0.45) PSIP1ALOX5APFEN1BRD4JAK2
SCHEMBL31047810 0.72 PSIP1 (0.51) PSIP1PGRALOX5APFEN1BRD4
SCHEMBL23181522 0.72 UHRF1 (0.35) FEN1
SCHEMBL28021196 0.70 PSIP1 (0.62) PSIP1PGRLMNAHPGDHSD17B10
SCHEMBL16658378 0.70 PSIP1 (0.49) PSIP1PGRALOX5APFEN1BRD4
SCHEMBL18595669 0.69 BRD4 (0.44) PSIP1BRD4JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 US disclosed
US-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 US disclosed
WO-2016130501-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2016-08-18 WO disclosed
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2016-08-11 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 PSIP1 4694/4885PGR 736/4885ALOX5AP 2325/4885
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 PSIP1 4694/4885PGR 736/4885ALOX5AP 2325/4885

“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.