Sugi Predict

Sugi Predict / Compounds / SCHEMBL16626878

SCHEMBL16626878

SCHEMBL16626878

C[C@H](CC(=O)O)c1c(O)ncnc1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ PTGER1 P34995 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ PTGER3 P43115 1/20 0.30
▸ PTGER2 P43116 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SLC22A6 Q4U2R8 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL25209479 1.00 FFAR1 (0.38) FFAR1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL25673189 0.85 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL16626887 0.79 FFAR1 (0.37) FFAR1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL28957054 0.79 FFAR1 (0.37) FFAR1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL25265377 0.79 FFAR1 (0.37) FFAR1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL28957053 0.79 FFAR1 (0.37) FFAR1ALDH1A1MAPTL3MBTL1TSHR
SCHEMBL16624823 0.75 ALDH1A1 (0.35) ALDH1A1L3MBTL1TSHRHTTLMNA
SCHEMBL27862204 0.71 BCAT2 (0.30) —
SCHEMBL9737859 0.68 FFAR1 (0.43) FFAR1ALDH1A1MAPTTSHRHTT
SCHEMBL27667799 0.67 FABP4 (0.41) FFAR1ALDH1A1MAPTL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485276-B Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2024-05-31 — — CN disclosed
CN-117964620-A AKT inhibitors 南京正大天晴制药有限公司 2024-05-03 — — CN disclosed
CN-115843298-B Salts and crystal forms of dihydropyrido [2,3-d ] pyrimidinone derivative 南京正大天晴制药有限公司 2024-03-29 — — CN disclosed
CN-112480116-B PKB inhibitors 南京正大天晴制药有限公司 2024-03-29 — — CN disclosed
CN-113272304-B AKT inhibitors 南京正大天晴制药有限公司 2024-03-29 — — CN disclosed
CN-117677614-A Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-03-08 — — CN disclosed
CN-115836069-B Salts of dihydropyrido [2,3-d ] pyrimidinone derivatives, preparation method and application thereof 南京正大天晴制药有限公司 2024-02-06 — — CN disclosed
US-20230321108-A1 UNIT DOSAGE COMPOSITION OF AKT INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-10-12 — — US disclosed
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-09-14 — — US disclosed
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 — — US disclosed
CN-110590606-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2023-02-17 — — CN disclosed
CN-115485276-A Deuterated AKT kinase inhibitors 南京正大天晴制药有限公司 2022-12-16 — — CN disclosed
CN-105899492-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-08-24 — — CN disclosed
CN-113272304-A AKT inhibitors 南京正大天晴制药有限公司 2021-08-17 — — CN disclosed
CN-112898210-A Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2021-06-04 — — CN disclosed
CN-112480116-A PKB inhibitors 南京正大天晴制药有限公司 2021-03-12 — — CN disclosed
CN-110590606-A Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2019-12-20 — — CN disclosed
EP-2861583-B1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2016-06-29 — — EP disclosed
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 — — US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 — — 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 (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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD FFAR1 3067/4885ALDH1A1 768/4885MAPT 4211/4885
US-20230321108-A1 UNIT DOSAGE COMPOSITION OF AKT INHIBITOR AKT2, AKT1, PIK3R2 FFAR1 789/4885ALDH1A1 4415/4885MAPT 1290/4885
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FH, GRHPR, SDHB FFAR1 1746/4885ALDH1A1 492/4885MAPT 3628/4885
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE DCK, DPYD, UCK2 FFAR1 1430/4885ALDH1A1 1413/4885MAPT 382/4885

“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.