SCHEMBL16320341

SCHEMBL16320341

Cc1nc(-c2cnn(C)c2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
COMT P21964 1/20 0.39
EPHX2 P34913 1/20 0.36
FYN P06241 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
MET P08581 4/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FLT3 P36888 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL16341282 0.79 PIK3CD (0.36) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL16320096 0.79 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL26766253 0.73 IRAK1 (0.46) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL26765998 0.73 FLT3 (0.38) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL16561336 0.71 ALDH1A1 (0.44) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL19002406 0.71 CYP3A4 (0.47) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL14227563 0.70 C1S (0.43) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL13306632 0.70 MAPT (0.39) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL31435562 0.70 PIK3CG (0.40) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL16320429 0.69 ALDH1A1 (0.47) COMTMETALDH1A1SMN1; SMN2PDE3A

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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 PIK3CA 2018/4885PIK3CD 2257/4885PIK3CB 1557/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PIK3CA 1347/4885PIK3CD 482/4885PIK3CB 981/4885

“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.