Sugi Predict

Sugi Predict / Compounds / SCHEMBL302929

SCHEMBL302929

SCHEMBL302929

CC1(C)CNC(=O)c2sc(Br)nc2C1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.70
▸ TSHR P16473 1/20 0.60
▸ HTT P42858 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ALDH1A1 P00352 10/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAP2K2 P36507 1/20 0.49
▸ MAP2K1 Q02750 1/20 0.49
▸ PIK3CD O00329 5/20 0.38
▸ PIK3CA P42336 5/20 0.38
▸ PIK3CB P42338 5/20 0.38
▸ PIK3CG P48736 5/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2072823 0.83 ATAD2 (0.68) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL303321 0.83 ATAD2 (1.00) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL12415755 0.80 ATAD2 (0.65) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL1300132 0.80 PIK3CD (0.56) ATAD2TSHRHTTHIF1APIK3CD
SCHEMBL3589439 0.77 ALDH1A1 (0.69) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL304836 0.76 ALDH1A1 (0.69) HTTALDH1A1NPC1RAB9AKDM4E
SCHEMBL504084 0.76 PIK3CD (0.70) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL303269 0.74 HTT (1.00) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL2477036 0.71 PIK3CD (0.41) ATAD2TSHRHTTHIF1AALDH1A1
SCHEMBL303804 0.71 ATAD2 (0.54) ATAD2TSHRHTTHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 — — US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 — — US disclosed
EP-3303318-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2018-04-11 — — EP disclosed
WO-2016198400-A1 BENZOXAZINONE DERIVATIVES AND ANALOGUES THEREOF AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2016-12-15 — — WO disclosed
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-7838517-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-23 — — US disclosed
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-03-18 — — 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-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 — — WO disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 — — US 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 (7 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A ATAD2 1661/4885TSHR 2169/4885HTT 303/4885
US-20090281082-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ATAD2 2780/4885TSHR 4151/4885HTT 964/4885
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors JAK1, MTOR, MOK ATAD2 1689/4885TSHR 1930/4885HTT 3055/4885
US-20120028965-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ATAD2 2780/4885TSHR 4151/4885HTT 964/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA ATAD2 1605/4885TSHR 940/4885HTT 3751/4885
US-20130267498-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K6, MAP3K1 ATAD2 2780/4885TSHR 4151/4885HTT 964/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 ATAD2 1622/4885TSHR 1094/4885HTT 1259/4885

“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.