SCHEMBL3399003

SCHEMBL3399003

COC(=O)c1sc(N2CCOCC2)c(C#N)c1Br

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.49
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
PIK3R1 P27986 4/20 0.37

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
SCHEMBL627237 0.86 PIK3CA (0.60) PIK3CAKDM4EHSD17B10GRIA2GRIA4
SCHEMBL623010 0.85 PIK3CA (0.50) PIK3CAALDH1A1KDM4EHPGDPOLB
SCHEMBL17244477 0.85 PIK3CA (0.47) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3401685 0.84 PIK3CA (0.49) PIK3CAALDH1A1KDM4EHPGDPOLB
SCHEMBL3403839 0.84 PIK3CA (0.51) PIK3CAALDH1A1KDM4EHPGDPOLB
SCHEMBL623815 0.84 PIK3CA (0.47) PIK3CAALDH1A1KDM4EHPGDPOLB
SCHEMBL3404260 0.77 PIK3CA (0.65) PIK3CAALDH1A1GRIA2GRIA4PIK3R1
SCHEMBL624130 0.75 KDM4E (0.47) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8010176 0.75 PIK3CA (0.56) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3425682 0.75 PIK3CA (0.61) PIK3CAALDH1A1KDM4EHPGDPOLB

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 1/4885ALDH1A1 1665/4885KDM4E 1172/4885

“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.