Sugi Predict

Sugi Predict / Compounds / SCHEMBL258434

SCHEMBL258434

SCHEMBL258434

Oc1ccc2nc(-c3ccccc3)nc(N3CCOCC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 1.00
▸ HTT P42858 3/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PIK3CG P48736 4/20 0.57
▸ PIK3CD O00329 3/20 0.57
▸ MTOR P42345 5/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ PIK3C2B O00750 1/20 0.56
▸ CCNE2 O96020 1/20 0.56
▸ PRKACA P17612 1/20 0.56

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 0.84 HTT (0.84) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL258630 0.81 PIK3CA (0.69) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL258709 0.81 PIK3CA (0.67) PIK3CALMNAALDH1A1PIK3CGPIK3CD
SCHEMBL258286 0.80 PIK3CA (0.67) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL258469 0.79 PIK3CA (0.65) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL258307 0.76 PIK3CA (0.65) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL1083793 0.75 HTT (0.74) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL1083989 0.75 HTT (0.74) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL13342122 0.75 HTT (0.74) PIK3CAHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL1083945 0.75 PIK3CA (0.60) PIK3CALMNAALDH1A1SMN1; SMN2PIK3CG

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 24 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
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 7/4885HTT 3321/4885LMNA 4331/4885
US-20040009978-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885HTT 3321/4885LMNA 4331/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885HTT 3321/4885LMNA 4331/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885HTT 3321/4885LMNA 4331/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885HTT 3321/4885LMNA 4331/4885
US-20020151544-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885HTT 3321/4885LMNA 4331/4885

“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.