SCHEMBL2725643

SCHEMBL2725643

CCOC(C#Cc1cnc(Cl)nc1NCCNC(=O)O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 8/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 4/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 5/20 0.33
GAA P10253 3/20 0.33
CFTR P13569 4/20 0.32
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
SYK P43405 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
SCHEMBL29437385 0.87 STK17B (0.55) STK17BSTK17AGAASYKKMT2A
SCHEMBL2722836 0.87 STK17B (0.55) STK17BSTK17AGAASYKKMT2A
SCHEMBL23868053 0.83 STK17B (0.52) STK17BSTK17AGAASYKKMT2A
SCHEMBL2724784 0.82 STK17B (0.34) STK17BSTK17A
SCHEMBL4187304 0.82 STK17A (0.35) STK17BSTK17AALDH1A1KDM4ELMNA
SCHEMBL21952152 0.82 STK17B (0.36) STK17BSTK17A
SCHEMBL17595889 0.82 STK17B (0.31) STK17BSTK17A
SCHEMBL21967063 0.82 SYK (0.30) SYK
SCHEMBL21967074 0.81 STK17B (0.33) STK17BSTK17A
SCHEMBL21967069 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 US disclosed
US-10927120-B2 CDK inhibitors GI Therapeutics, Inc. (NC) 2021-02-23 US disclosed
US-20200277300-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2020-09-03 US disclosed
EP-3191098-A1 COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS G1 Therapeutics, Inc. (US) 2017-07-19 EP disclosed
WO-2016040848-A1 TREATMENT OF RB-NEGATIVE TUMORS USING TOPOISOMERASE INHIBITORS IN COMBINATION WITH CYCLIN DEPENDENT KINASE 4/6 INHIBITORS G1 THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
WO-2016040858-A1 COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS G1 THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
EP-2967050-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2968290-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2968291-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 Therapeutics, Inc. (US) 2016-01-20 EP disclosed
EP-2831080-A1 LACTAM KINASE INHIBITORS Tavares, Francis Xavier (US) 2015-02-04 EP disclosed
WO-2014144847-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144326-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2013148748-A1 LACTAM KINASE INHIBITORS TAVARES FRANCIS XAVIER (US) 2013-10-03 WO disclosed
EP-2632467-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2013-09-04 EP disclosed
WO-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 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 (3 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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 STK17B 149/4885STK17A 152/4885ALDH1A1 2981/4885
US-20200277300-A1 CDK INHIBITORS CDK3, CDK9, CDK6 STK17B 149/4885STK17A 152/4885ALDH1A1 2981/4885
US-10927120-B2 CDK inhibitors CDK3, CDK9, CDK6 STK17B 149/4885STK17A 152/4885ALDH1A1 2981/4885

“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.