SCHEMBL258487

SCHEMBL258487

c1ccc(-c2nc(N3CCOCC3)c3cccnc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.74
MTOR P42345 12/20 0.74
PIK3CD O00329 3/20 0.74
PIK3CG P48736 2/20 0.74
PIK3R1 P27986 9/20 0.72
HTT P42858 2/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GBA1 P04062 1/20 0.59
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
METAP1 P53582 1/20 0.58

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
SCHEMBL3748887 0.82 HTT (0.84) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL25719399 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL27272628 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL25724481 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL16094600 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL10092297 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL30308924 0.78 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL30455945 0.76 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL25722311 0.76 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL25720287 0.76 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CGPIK3R1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP claimed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US claimed
US-20040009978-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2004-01-15 US claimed
US-20030236271-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2003-12-25 US claimed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP claimed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 US claimed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7037915-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-6770641-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
US-20040009978-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2004-01-15 US disclosed
US-20030236271-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2003-12-25 US disclosed
US-6608056-B1 Phosphatidylinositol 3-kinase inhibitors and carcinostatic agents YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2003-08-19 US disclosed
US-6608053-B2 Phosphatidylinositol 3-kinase (PI3K) inhibitors/anticancer agents such as N-(2-(3-benzenesulfonylaminophenyl)-4-morphoniloquinazolin-6-yl)acetamide YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1277738-A1 CONDENSED HETEROARYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP disclosed
US-20020151544-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2002-10-17 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 (6 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-20030236271-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CD 1/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CD 1/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CD 1/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CD 1/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CD 1/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CD 1/4885

“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.