SCHEMBL3402690

SCHEMBL3402690

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.77
GRIA4 P48058 3/20 0.61
GRIA2 P42262 2/20 0.61
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
PIK3R1 P27986 7/20 0.51
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
PRKDC P78527 1/20 0.44
MTOR P42345 2/20 0.44

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
SCHEMBL3400775 0.90 PIK3CA (0.77) PIK3CAGRIA4GRIA2FNTAFNTB
SCHEMBL3403319 0.89 PIK3CA (0.80) PIK3CAGRIA4GRIA2PIK3R1ALDH1A1
SCHEMBL8008374 0.88 PIK3CA (0.81) PIK3CAGRIA4GRIA2FNTAFNTB
SCHEMBL8005531 0.88 PIK3CA (0.68) PIK3CAGRIA4GRIA2FNTAFNTB
SCHEMBL8008204 0.88 PIK3CA (0.65) PIK3CAGRIA4GRIA2FNTAFNTB
SCHEMBL8011651 0.88 PIK3CA (0.81) PIK3CAGRIA4GRIA2PIK3R1ALDH1A1
SCHEMBL3398626 0.87 PIK3CA (0.58) PIK3CAGRIA4GRIA2FNTAFNTB
SCHEMBL8006300 0.87 PIK3CA (1.00) PIK3CAGRIA4GRIA2FNTAFNTB
SCHEMBL8010064 0.87 PIK3CA (0.80) PIK3CAGRIA4GRIA2PIK3R1ALDH1A1
SCHEMBL17244456 0.86 PIK3CA (0.66) PIK3CAGRIA4GRIA2FNTAFNTB

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 8 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
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 1/4885GRIA4 2350/4885GRIA2 2570/4885

“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.