SCHEMBL4415972

SCHEMBL4415972

N#Cc1c(N2CCOCC2)sc(C(=O)NCc2ccc(Br)cc2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.51
MTOR P42345 2/20 0.51
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.38
CDK2 P24941 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PIK3R1 P27986 1/20 0.37
PSMD14 O00487 1/20 0.37
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL8008274 0.90 PIK3CA (0.53) PIK3CAMTORRXFP1HTTKDM4E
SCHEMBL13597848 0.90 PIK3CA (0.49) PIK3CAMTORRXFP1HTTSMN1; SMN2
SCHEMBL8006078 0.87 PIK3CA (0.56) PIK3CAMTORHTTSMN1; SMN2KDM4E
SCHEMBL3399984 0.86 PIK3CA (0.59) PIK3CAMTORHTTSMN1; SMN2MAPT
SCHEMBL7996257 0.85 PIK3CA (0.55) PIK3CAMTORRXFP1SMN1; SMN2MAPK1
SCHEMBL8006058 0.84 PIK3CA (0.54) PIK3CAMTORRXFP1KDM4EMAPK1
SCHEMBL1552132 0.84 PIK3CA (0.55) PIK3CAMTORRXFP1HTTSMN1; SMN2
SCHEMBL13597813 0.84 PIK3CA (0.54) PIK3CAMTORRXFP1HTTSMN1; SMN2
SCHEMBL8008367 0.84 PIK3CA (0.53) PIK3CAMTORMAPK1EGFRCDK2
SCHEMBL17244453 0.84 PIK3CA (0.53) PIK3CAMTORALDH1A1MAPTEGFR

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
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
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

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 1/4885MTOR 3/4885RXFP1 1735/4885

“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.