Sugi Predict

Sugi Predict / Compounds / SCHEMBL461752

SCHEMBL461752

SCHEMBL461752

CCOC(=O)c1cnn2ccc(O)nc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.51
▸ KDM4E B2RXH2 6/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ HPGD P15428 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL10204204 0.87 PDE2A (0.53) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL22763214 0.85 KDM4E (0.53) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL25162502 0.85 TGFBR1 (0.50) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL16718827 0.85 TGFBR1 (0.50) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL402500 0.85 TGFBR1 (0.50) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL18208219 0.84 SMPD3 (0.54) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL23728465 0.84 TGFBR1 (0.49) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL23728509 0.83 TGFBR1 (0.52) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL18209075 0.83 TGFBR1 (0.48) TGFBR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL25195792 0.83 TGFBR1 (0.48) TGFBR1KDM4ERAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — EP disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — EP disclosed
CN-113754682-B Compound having macrocyclic structure and use thereof 赛诺哈勃药业（成都）有限公司 2023-01-06 — — CN disclosed
US-20220411439-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR Turning Point Therapeutics, Inc. 2022-12-29 — — US disclosed
US-20220411439-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR Turning Point Therapeutics, Inc. 2022-12-29 — — US disclosed
EP-3268367-B1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2022-10-05 — — EP disclosed
EP-3986413-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR Turning Point Therapeutics, Inc. (US) 2022-04-27 — — EP disclosed
EP-2571883-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-01-07 — — EP disclosed
US-8791123-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-07-29 — — US disclosed
US-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-08-08 — — US disclosed
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 — — EP disclosed
EP-2451812-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2012-05-16 — — EP disclosed
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-05-03 — — US disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — WO disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 — — WO disclosed
WO-2011006074-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-01-13 — — 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 (4 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-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 TGFBR1 927/4885KDM4E 1814/4885RAB9A 1807/4885
US-20220411439-A1 POLYMORPHS OF A MACROCYCLIC KINASE INHIBITOR MAP3K20, MAP3K19, MAP3K15 TGFBR1 1802/4885KDM4E 1475/4885RAB9A 1302/4885
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 TGFBR1 829/4885KDM4E 1626/4885RAB9A 1057/4885
US-20120108568-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS FRK, TXK, TNNI3K TGFBR1 957/4885KDM4E 2037/4885RAB9A 2213/4885

“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.