SCHEMBL19257543

SCHEMBL19257543

CCC(C)(C)c1cnc(F)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CNR2 P34972 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CNR1 P21554 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
SCHEMBL22752296 0.85 PIK3CA (0.35) ALDH1A1NPSR1CNR2SMN1; SMN2MEN1
SCHEMBL17996185 0.82 ALDH1A1 (0.38) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL91419 0.80 MAPT (0.37) ALDH1A1MEN1KMT2ATSHRNPC1
SCHEMBL19592858 0.77 PIK3CA (0.42) MAPT
SCHEMBL25454479 0.73 ALOX5 (0.43) ALDH1A1NPSR1CNR2SMN1; SMN2MEN1
SCHEMBL20288216 0.72 NPC1 (0.40) ALDH1A1NPSR1CNR2SMN1; SMN2MEN1
SCHEMBL23951689 0.72 PGK1 (0.40)
SCHEMBL19446199 0.72 PTGS2 (0.48) ALDH1A1NPC1RAB9A
SCHEMBL12121971 0.71 PTGS2 (0.52) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL19232082 0.71 TUBB4A (0.37) NPSR1SMN1; SMN2MEN1MAPK1KMT2A

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 ALDH1A1 3781/4885NPSR1 3997/4885CNR2 3666/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 ALDH1A1 3781/4885NPSR1 3997/4885CNR2 3666/4885

“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.