SCHEMBL20458080

SCHEMBL20458080

Clc1ncc(I)c(NC2CCCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
AXL P30530 1/20 0.52
HPGDS O60760 1/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 6/20 0.38
ADORA1 P30542 5/20 0.38
ADORA2A P29274 4/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 1/20 0.38
PDE4A P27815 1/20 0.38
ULK1 O75385 1/20 0.38
GAA P10253 1/20 0.37
CDK2 P24941 1/20 0.37
LATS1 O95835 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL19244047 0.98 KMT2A (0.68) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL1881377 0.97 KMT2A (0.60) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL1936119 0.93 KMT2A (0.55) KMT2AAXLHPGDSADORA3ADORA1
SCHEMBL31074697 0.84 KMT2A (0.48) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL1934159 0.83 KMT2A (0.69) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL1937546 0.81 KMT2A (0.71) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL1783010 0.80 KMT2A (0.65) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL13812811 0.80 KMT2A (0.65) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL22866360 0.80 KMT2A (0.97) KMT2AAXLHPGDSPDE10AKDM4E
SCHEMBL1976634 0.80 KMT2A (0.65) KMT2AAXLHPGDSPDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994171-A Preparation method of rebamacinib intermediate 2-chloro-7-cyclopentyl-7H-pyrrolo [2,3-d ] pyrimidine-6-methanol 浙江工业大学 2024-11-22 CN disclosed
CN-114751909-B Preparation method of rebaudinib intermediate 杭州福斯特药业有限公司 2023-10-27 CN disclosed
CN-114751909-A Preparation method of Ribociclib intermediate 杭州福斯特药业有限公司 2022-07-15 CN disclosed
CN-108586356-B Ribociclib new intermediate and synthetic method for preparing Ribociclib by using same 杭州科巢生物科技有限公司 2021-02-19 CN disclosed
EP-3357922-B1 2-((5-(1-(3-(METHYLSULFONYL)PROPYL)PIPERIDIN-4-YL)PYRIDIN-2-YL)AMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS CDK4 INHIBITORS FOR TREATING TUMORS GUANGZHOU BEBETTER MEDICINE TECH CO LTD (CN) 2020-08-26 EP disclosed
US-10183941-B2 Pyrimidine or pyridopyridone compound and application thereof GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2019-01-22 US disclosed
EP-3357922-A1 PYRIMIDINE OR PYRIDOPYRIDONE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2018-08-08 EP disclosed
CN-105622638-A Pyrimido or pyridopyridone compound and its preparation method and use GUANGZHOU KANGSHENG BEITE PHARMACEUTICAL CO LTD 2016-06-01 CN 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 (1 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-10183941-B2 Pyrimidine or pyridopyridone compound and application thereof CDK6, CDK4, CDK2 KMT2A 1221/4885AXL 531/4885HPGDS 1052/4885

“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.