SCHEMBL22975128

SCHEMBL22975128

CC(N[S+]([O-])C(C)(C)C)c1cc2cccc(F)c2nc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.45
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CBFB Q13951 2/20 0.32
FFAR1 O14842 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
MAPK14 Q16539 1/20 0.31
TGFBR1 P36897 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
P4HB P07237 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL19344365 1.00 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL19344352 0.80 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL19344362 0.79 PIK3CD (0.32) PIK3CD
SCHEMBL29869127 0.79 PIK3CD (0.32) PIK3CD
SCHEMBL22476054 0.78 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL19344351 0.78 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL28685388 0.74 MET (0.40)
SCHEMBL28685387 0.74 MET (0.40)
SCHEMBL31037116 0.74 MET (0.40)
SCHEMBL28685390 0.74 MET (0.40)

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-11446301-B2 Quinoline analogs as phosphatidylinositol 3-kinase inhibitors NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2022-09-20 US disclosed
US-20210046075-A1 QUINOLINE ANALOGS AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2021-02-18 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-11446301-B2 Quinoline analogs as phosphatidylinositol 3-kinase inhibitors PIK3CD, PI4KB, PIK3CA PIK3CD 1/4885PIK3CA 3/4885PIK3CB 9/4885
US-20210046075-A1 QUINOLINE ANALOGS AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CD, PI4KB, PIK3CA PIK3CD 1/4885PIK3CA 3/4885PIK3CB 9/4885

“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.