SCHEMBL12878

SCHEMBL12878

O=C(c1nn(-c2ccc(CN3CCOCC3)cc2)c2c1CS(=O)(=O)c1c(Cl)cccc1-2)N1CCOCC1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.83
PIK3R2 O00459 20/20 0.83
PIK3CA P42336 20/20 0.83
PIK3CB P42338 20/20 0.83
PIK3CG P48736 20/20 0.83
PIK3R5 Q8WYR1 20/20 0.83
PIK3R3 Q92569 20/20 0.83

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
SCHEMBL24188779 0.92 PIK3CD (0.76) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30174986 0.91 PIK3CD (0.70) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30442599 0.91 PIK3CD (0.69) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL25230907 0.91 PIK3CD (0.69) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
Roginolisib SCHEMBL12849 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
Roginolisib SCHEMBL29515379 0.91 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13154 0.88 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24188784 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30174993 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL30460551 0.88 PIK3CD (0.65) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754678-B Dihydrothiochromene pyrazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-03-10 CN disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO 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 (1 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA PIK3CD 5/4885PIK3R2 27/4885PIK3CA 7/4885

“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.