SCHEMBL2722874

SCHEMBL2722874

CC(C)C(CN)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ELANE P08246 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.54
CTSK P43235 5/20 0.53
CTRB1 P17538 2/20 0.52
PRTN3 P24158 2/20 0.52
CTSS P25774 5/20 0.51
CTSL P07711 4/20 0.51
CTSB P07858 3/20 0.51

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
SCHEMBL6312509 1.00 ATM (0.56) ATMELANETRPM8CTSKCTRB1
SCHEMBL6312134 1.00 ATM (0.56) ATMELANETRPM8CTSKCTRB1
SCHEMBL9383948 0.90 CTSS (0.56) ATMELANETRPM8CTSKCTRB1
SCHEMBL5724016 0.87 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL15238327 0.87 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL25465632 0.87 TRPM8 (0.66) ATMELANETRPM8CTSKCTRB1
SCHEMBL12798890 0.87 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL2723524 0.87 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL13489691 0.87 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL6044625 0.86 PSMB1 (0.58) ATMELANETRPM8CTSKCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US claimed
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2020-09-10 US claimed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US claimed
US-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 US claimed
US-10618905-B2 Pyrimidine-based compounds for the treatment of cancer G1 THERAPEUTICS, INC. (US) 2020-04-14 US claimed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2019-05-09 US claimed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 US claimed
US-20160310499-A1 Highly Active Anti-Neoplastic and Anti-Proliferative Agents G1 THERAPEUTICS, INC. 2016-10-27 US claimed
US-20160108054-A1 Lactam Kinase Inhibitors PHARMACOSMOS HOLDING A/S (DK) 2016-04-21 US claimed
US-9260442-B2 Lactam kinase inhibitors G1 THERAPEUTICS, INC. (US) 2016-02-16 US claimed
US-20150299212-A1 Tricyclic Lactams for Use in HSPC-Sparing Treatments for RB-Positive Abnormal Cellular Proliferation G1 THERAPEUTICS, INC. (US) 2015-10-22 US claimed
US-20150297608-A1 Tricyclic Lactams for Use as Anti-Neoplastic and Anti-Proliferative Agents G1 THERAPEUTICS, INC. (US) 2015-10-22 US claimed
US-20150297607-A1 Tricyclic Lactams for Use in the Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2015-10-22 US claimed
US-20140271466-A1 HSPC-Sparing Treatments for RB-Positive Abnormal Cellular Proliferation G1 THERAPEUTICS, INC. (US) 2014-09-18 US claimed
US-20140271460-A1 Highly Active Anti-Neoplastic and Anti-Proliferative Agents G1 THERAPEUTICS, INC. (US) 2014-09-18 US claimed
US-8829012-B2 CDK inhibitors G1 THERAPEUTICS, INC. (US) 2014-09-09 US claimed
US-8822683-B2 CDK inhibitors G1 THERAPEUTICS, INC. (US) 2014-09-02 US claimed
US-8598197-B2 CDK inhibitors G1 THERAPEUTICS, INC. (US) 2013-12-03 US claimed
US-20130237534-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2013-09-12 US claimed
US-20130237533-A1 CDK Inhibitors G1 THERAPEUTICS, INC. (US) 2013-09-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 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-20130237534-A1 CDK INHIBITORS CDK3, CDK9, CDK6 ATM 415/4885ELANE 4040/4885TRPM8 4652/4885
US-20160108054-A1 Lactam Kinase Inhibitors AKT1, MASTL, MAP3K19 ATM 167/4885ELANE 3210/4885TRPM8 4534/4885
US-20150297607-A1 Tricyclic Lactams for Use in the Protection of Normal Cells During Chemotherapy CDK6, CCNC, CDK4 ATM 643/4885ELANE 2154/4885TRPM8 4687/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD ATM 1683/4885ELANE 4023/4885TRPM8 4556/4885
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP ATM 1760/4885ELANE 4200/4885TRPM8 4384/4885
US-20150299212-A1 Tricyclic Lactams for Use in HSPC-Sparing Treatments for RB-Positive Abnormal Cellular Proliferation CDK4, CDK6, CDKL4 ATM 1091/4885ELANE 3341/4885TRPM8 4712/4885
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD ATM 1105/4885ELANE 4606/4885TRPM8 4297/4885
US-20140271466-A1 HSPC-Sparing Treatments for RB-Positive Abnormal Cellular Proliferation RB1, CDK4, CDKN1A ATM 1820/4885ELANE 2807/4885TRPM8 4166/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD ATM 1105/4885ELANE 4606/4885TRPM8 4297/4885
US-20140271460-A1 Highly Active Anti-Neoplastic and Anti-Proliferative Agents MKI67, PCNA, HRAS ATM 3010/4885ELANE 353/4885TRPM8 4599/4885
US-20130237533-A1 CDK Inhibitors CDK3, CDK9, CDK6 ATM 415/4885ELANE 4040/4885TRPM8 4652/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP ATM 1760/4885ELANE 4200/4885TRPM8 4384/4885
US-10618905-B2 Pyrimidine-based compounds for the treatment of cancer TYMS, TYMP, DPYD ATM 1105/4885ELANE 4606/4885TRPM8 4297/4885
US-20160310499-A1 Highly Active Anti-Neoplastic and Anti-Proliferative Agents MKI67, PCNA, HRAS ATM 3010/4885ELANE 353/4885TRPM8 4599/4885
US-20150297608-A1 Tricyclic Lactams for Use as Anti-Neoplastic and Anti-Proliferative Agents PCNA, TOP2A, CCNI ATM 2471/4885ELANE 388/4885TRPM8 4644/4885
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP ATM 1760/4885ELANE 4200/4885TRPM8 4384/4885

“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.