SCHEMBL10177532

SCHEMBL10177532

CC(C)C1(C#N)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL10225361 0.97 ALDH1A1 (0.40) ALDH1A1
SCHEMBL12908851 0.94
SCHEMBL10092851 0.88
SCHEMBL15755715 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14738149 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23514890 0.79
SCHEMBL16731867 0.77
SCHEMBL16804410 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23790320 0.77
SCHEMBL15755959 0.77 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20230159535-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-25 US disclosed
US-RE49338-E1 Phthalazinone derivatives and manufacturing process thereof IDIENCE CO., LTD. (KR) 2022-12-20 US disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-9844550-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-12-19 US disclosed
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2017-06-29 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2016-08-04 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 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 (10 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-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, PARP1 ALDH1A1 1605/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 ALDH1A1 3898/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 ALDH1A1 2597/4885
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, NUDT5 ALDH1A1 1576/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 ALDH1A1 4555/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A ALDH1A1 1899/4885
US-20230159535-A1 CDK2 INHIBITORS CDK2, CDK20, CDK2AP1 ALDH1A1 3301/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 ALDH1A1 1726/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 ALDH1A1 4079/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 ALDH1A1 1726/4885

“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.