SCHEMBL258709

SCHEMBL258709

COc1ccc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.67
MTOR P42345 6/20 0.59
PIK3CG P48736 5/20 0.59
PIK3CD O00329 3/20 0.59
PIK3CB P42338 2/20 0.58
PIK3C2B O00750 1/20 0.58
CCNE2 O96020 1/20 0.58
PRKACA P17612 1/20 0.58
PRKACG P22612 1/20 0.58
PRKACB P22694 1/20 0.58
CCNE1 P24864 1/20 0.58
CDK2 P24941 1/20 0.58
KDR P35968 1/20 0.58
PIK3R1 P27986 1/20 0.55
PIK3R5 Q8WYR1 1/20 0.55
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
TSHR P16473 3/20 0.54
USP2 O75604 2/20 0.54

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
SCHEMBL258630 0.89 PIK3CA (0.69) PIK3CACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1084043 0.82 CYP1A2 (0.60) PIK3CAMTORPIK3CGPIK3CDCYP1A2
SCHEMBL16912829 0.82 PIK3CA (0.68) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL258434 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL258469 0.80 PIK3CA (0.65) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL14475592 0.78 ALDH1A1 (0.64) PIK3CACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1084163 0.78 CYP1A2 (0.57) PIK3CACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL258307 0.78 PIK3CA (0.65) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL14475571 0.77 ALDH1A1 (0.66) PIK3CACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2154165 0.76 TRPM8 (0.74) PIK3CAMTORPIK3CGPIK3CD

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 25 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-6770641-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 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
WO-2004017950-A2 PHOSPHADIDYLINOSITOL 3,5-BIPHOSPHATE INHIBITORS AS ANTI-VIRAL AGENTS PIRAMED LIMITED (GB) 2004-03-04 WO 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 27/4885PIK3CG 11/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CG 11/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CG 11/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CG 11/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CG 11/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885MTOR 27/4885PIK3CG 11/4885

“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.