SCHEMBL4892371

SCHEMBL4892371

Clc1nc(N2CCOCC2)c2sc(CNCCN3CCOCC3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.48
PIK3R1 P27986 9/20 0.48
MTOR P42345 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1284158 0.88 PIK3CA (0.55) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284571 0.88 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284054 0.86 PIK3CA (0.47) PIK3CAPIK3R1MTORALDH1A1SMN1; SMN2
SCHEMBL1180613 0.85 PIK3CA (0.47) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1857391 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL4438977 0.83 PIK3CA (0.45) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL2817644 0.83 PIK3CA (0.51) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL189807 0.83 PIK3CA (0.53) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1088049 0.83 PIK3CA (0.58) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1285138 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 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 (3 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-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 15/4885MTOR 37/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3R1 19/4885MTOR 17/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3R1 19/4885MTOR 17/4885

“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.