SCHEMBL258286

SCHEMBL258286

NC(=S)Nc1ccc2nc(-c3ccccc3)nc(N3CCOCC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.67
PIK3C2B O00750 3/20 0.57
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
RECQL P46063 1/20 0.51
MTOR P42345 5/20 0.50
PIK3R1 P27986 2/20 0.50
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PIK3CG P48736 2/20 0.49
USP2 O75604 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48

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
SCHEMBL258434 0.80 PIK3CA (1.00) PIK3CAPIK3C2BHTTLMNAALDH1A1
SCHEMBL3748887 0.77 HTT (0.84) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL258630 0.75 PIK3CA (0.69) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL13312368 0.74 TLR9 (0.62) PIK3CALMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1434549 0.73 PIK3C2B (1.00) PIK3CAPIK3C2BHTTLMNACYP1A2
SCHEMBL27995490 0.72 ALDH1A1 (0.66) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL1833134 0.70 MTOR (0.75) CYP3A4MTOR
SCHEMBL28928004 0.69 MTOR (0.67) PIK3CAALDH1A1MTORPIK3CGMEN1
SCHEMBL13342122 0.69 HTT (0.74) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL1083989 0.69 HTT (0.74) PIK3CAHTTLMNAALDH1A1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060058321-A1 Fused heterolaryl derivatives HAYAKAWA MASAHIKO 2006-03-16 US disclosed
US-20050014771-A1 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2005-01-20 US disclosed
US-6838457-B2 Fused heteroaryl derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-04 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 (8 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 7/4885PIK3C2B 5/4885HTT 3321/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885HTT 3321/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885HTT 3321/4885
US-20060058321-A1 Fused heterolaryl derivatives PIK3CD, PIK3C2A, PIK3R1 PIK3CA 10/4885PIK3C2B 4/4885HTT 3457/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885HTT 3321/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885HTT 3321/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885HTT 3321/4885
US-20050014771-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885HTT 3321/4885

“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.