SCHEMBL16626887

SCHEMBL16626887

C[C@H](CC(=O)O)c1c(Cl)ncnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
NOTUM Q6P988 1/20 0.34
KMO O15229 1/20 0.33
USP5 P45974 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GABBR2 O75899 3/20 0.32
GABBR1 Q9UBS5 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
NFKB1 P19838 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL25265377 1.00 FFAR1 (0.37) FFAR1NOTUMKMOUSP5SMN1; SMN2
SCHEMBL15391066 0.81 MAPT (0.37) SMN1; SMN2LMNACYP2C9CYP2C19TSHR
SCHEMBL16626878 0.79 FFAR1 (0.38) FFAR1LMNATSHRKMT2AALDH1A1
SCHEMBL25209479 0.79 FFAR1 (0.38) FFAR1LMNATSHRKMT2AALDH1A1
SCHEMBL28796325 0.79 FFAR1 (0.38) FFAR1NOTUMGABBR2GABBR1LMNA
SCHEMBL16719274 0.79 FFAR1 (0.38) FFAR1NOTUMGABBR2GABBR1LMNA
SCHEMBL28957053 0.78 FFAR1 (0.37) FFAR1TSHRALDH1A1MAPTL3MBTL1
SCHEMBL28957054 0.78 FFAR1 (0.37) FFAR1TSHRALDH1A1MAPTL3MBTL1
SCHEMBL16624822 0.75 HTT (0.36)
SCHEMBL24227162 0.74 SELE (0.35) SMN1; SMN2LMNATSHRALDH1A1

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-113272304-B AKT inhibitors 南京正大天晴制药有限公司 2024-03-29 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-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-115836069-A Salt of dihydropyrido [2,3-d ] pyrimidone derivative, preparation method and application thereof 南京正大天晴制药有限公司 2023-03-21 CN disclosed
CN-110590606-B Process for preparing pyrimidylcyclopentane compounds 豪夫迈·罗氏有限公司 2023-02-17 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 3067/4885NOTUM 2963/4885KMO 921/4885
US-20230321108-A1 UNIT DOSAGE COMPOSITION OF AKT INHIBITOR AKT2, AKT1, PIK3R2 FFAR1 789/4885NOTUM 442/4885KMO 4393/4885
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FH, GRHPR, SDHB FFAR1 1746/4885NOTUM 212/4885KMO 1722/4885
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE DCK, DPYD, UCK2 FFAR1 1430/4885NOTUM 4135/4885KMO 1265/4885

“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.