SCHEMBL12989288

SCHEMBL12989288

CC(C)(C#N)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ LPL P06858 9/20 0.34
▸ LIPG Q9Y5X9 9/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ HIF1A Q16665 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ PRKCA P17252 2/20 0.31
▸ PRKCQ Q04759 2/20 0.31
▸ PRKCD Q05655 2/20 0.31
▸ ROCK1 Q13464 2/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 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
SCHEMBL30523101 0.83 FFAR1 (0.40) FFAR1LPLLIPGDGAT1HIF1A
SCHEMBL16008825 0.83 FFAR1 (0.40) FFAR1LPLLIPGDGAT1HIF1A
SCHEMBL22185786 0.82 LPL (0.40) FFAR1LPLLIPGDGAT1HIF1A
SCHEMBL23597018 0.81 FFAR1 (0.44) FFAR1LPLLIPGDGAT1HIF1A
SCHEMBL406138 0.79 AR (0.40) FFAR1LPLLIPGEGFR
SCHEMBL29506948 0.79 AR (0.40) FFAR1LPLLIPGEGFR
SCHEMBL24023348 0.78 LPL (0.37) FFAR1LPLLIPGDGAT1HIF1A
SCHEMBL22977685 0.78 DGAT1 (0.38) FFAR1LPLLIPGDGAT1HIF1A
SCHEMBL3508852 0.78 DGAT1 (0.43) FFAR1ESR2LPLLIPGDGAT1
SCHEMBL22289520 0.77 FFAR1 (0.42) FFAR1LPLLIPGDGAT1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492194-B2 HPK1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2025-12-09 — — US disclosed
EP-3947366-B1 HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-21 — — EP disclosed
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 — — US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 — — WO disclosed
US-20240199603-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-06-20 — — US disclosed
US-11926625-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2024-03-12 — — US disclosed
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 — — US disclosed
US-20220177458-A1 HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-09 — — US disclosed
EP-3878851-A1 PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2021-09-15 — — EP disclosed
US-10822331-B2 Processes for preparing ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-11-03 — — US disclosed
EP-2694498-A1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE Vertex Pharmaceuticals Incorporated (US) 2014-02-12 — — EP disclosed
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 — — US disclosed
US-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 — — US disclosed
US-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 — — US disclosed
US-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 — — US disclosed
WO-2013049726-A2 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 — — WO disclosed
WO-2012138938-A1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 — — WO disclosed
WO-2012138938-A1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 — — 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 (9 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-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 FFAR1 4456/4885ESR2 3702/4885LPL 4505/4885
US-20240199603-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 FFAR1 2934/4885ESR2 2188/4885LPL 1508/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 FFAR1 2934/4885ESR2 2188/4885LPL 1508/4885
US-10822331-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 FFAR1 4587/4885ESR2 4283/4885LPL 4823/4885
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase ATR, ATRIP, CHEK1 FFAR1 4590/4885ESR2 4353/4885LPL 4807/4885
US-20220177458-A1 HPK1 INHIBITORS PGK1, PCK1, PDXK FFAR1 2810/4885ESR2 1713/4885LPL 435/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 FFAR1 4787/4885ESR2 1954/4885LPL 3618/4885
US-11926625-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 FFAR1 2934/4885ESR2 2188/4885LPL 1508/4885
US-12492194-B2 HPK1 inhibitors PGK1, PCK1, PDXK FFAR1 2810/4885ESR2 1713/4885LPL 435/4885

“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.

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