Sugi Predict

Sugi Predict / Compounds / SCHEMBL504084

SCHEMBL504084

SCHEMBL504084

CC1(C)CNC(=O)c2sc(-c3ccncc3)nc2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.70
▸ PIK3CA P42336 3/20 0.70
▸ PIK3CB P42338 3/20 0.70
▸ PIK3CG P48736 3/20 0.70
▸ ATAD2 Q6PL18 1/20 0.59
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTT P42858 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ MAP2K2 P36507 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48
▸ CDC7 O00311 5/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ DBF4 Q9UBU7 3/20 0.46
▸ IDO1 P14902 3/20 0.40

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
SCHEMBL2472341 0.83 ATAD2 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL3574427 0.80 ATAD2 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL30836854 0.76 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGTSHR
SCHEMBL302929 0.76 ATAD2 (0.70) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL2072823 0.75 ATAD2 (0.68) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL303321 0.75 ATAD2 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL504077 0.73 ATAD2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL2477606 0.72 ALDH1A1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL12415755 0.72 ATAD2 (0.65) PIK3CDPIK3CAPIK3CBPIK3CGATAD2
SCHEMBL10070729 0.71 ATAD2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-10 — — US disclosed
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-10 — — US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-8399458-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 — — US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
EP-2094712-B1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-10-12 — — EP disclosed
EP-2094712-B1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-10-12 — — EP disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 — — US disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 — — US disclosed
US-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 — — US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 — — US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 — — US disclosed
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 — — US disclosed
EP-2094712-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2009-09-02 — — EP disclosed
WO-2008060597-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-22 — — WO disclosed
WO-2008060597-A2 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-22 — — 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 (3 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-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PIK3CD 99/4885PIK3CA 44/4885PIK3CB 82/4885
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PIK3CD 99/4885PIK3CA 44/4885PIK3CB 82/4885
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 PIK3CD 99/4885PIK3CA 44/4885PIK3CB 82/4885

“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.