SCHEMBL3400775

SCHEMBL3400775

COc1ccc(-c2c(C(N)=O)sc(N3CCOCC3)c2C#N)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.77
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PIK3R1 P27986 8/20 0.52
GRIA2 P42262 1/20 0.49
GRIA4 P48058 1/20 0.49
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA1 P30542 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MTOR P42345 2/20 0.43
PRKDC P78527 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL3402690 0.90 PIK3CA (0.77) PIK3CAALDH1A1NPSR1PIK3R1GRIA2
SCHEMBL3403823 0.89 PIK3CA (0.80) PIK3CAALDH1A1PIK3R1GRIA2GRIA4
SCHEMBL13597832 0.89 PIK3CA (0.70) PIK3CAALDH1A1PIK3R1GRIA2GRIA4
SCHEMBL8006407 0.88 PIK3CA (0.82) PIK3CAPIK3R1GRIA2GRIA4MTOR
SCHEMBL8008648 0.88 PIK3CA (0.66) PIK3CAALDH1A1L3MBTL1PIK3R1GRIA2
SCHEMBL7996628 0.87 PIK3CA (0.80) PIK3CAALDH1A1PIK3R1GRIA2GRIA4
SCHEMBL17244455 0.86 PIK3CA (0.58) PIK3CAALDH1A1NPSR1L3MBTL1PIK3R1
SCHEMBL7996680 0.86 PIK3CA (0.66) PIK3CAALDH1A1L3MBTL1PIK3R1GRIA2
SCHEMBL3398626 0.86 PIK3CA (0.58) PIK3CAALDH1A1NPSR1PIK3R1GRIA2
SCHEMBL3404260 0.83 PIK3CA (0.65) PIK3CAALDH1A1PIK3R1GRIA2GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
EP-2250160-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 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-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR PIK3CA 1/4885ALDH1A1 1665/4885NPSR1 953/4885

“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.