SCHEMBL2204112

SCHEMBL2204112

COc1ccc2c(c1)CCN(C)C2=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ AOC3 Q16853 2/20 0.56
▸ GRM5 P41594 2/20 0.54
▸ DRD1 P21728 4/20 0.53
▸ DRD5 P21918 4/20 0.53
▸ DRD2 P14416 3/20 0.53
▸ DRD3 P35462 3/20 0.53
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ METAP1 P53582 1/20 0.47
▸ NOTUM Q6P988 1/20 0.47

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
SCHEMBL20214501 0.91 MEN1 (0.51) MEN1KMT2AAOC3GRM5DRD1
SCHEMBL1036238 0.87 MEN1 (0.62) MEN1KMT2ADRD1DRD5DRD2
SCHEMBL31438780 0.87 MEN1 (0.62) MEN1KMT2ADRD1DRD5DRD2
SCHEMBL30021259 0.83 METAP1 (0.50) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL8222715 0.83 METAP1 (0.50) DRD1DRD5DRD2DRD3HTR2A
SCHEMBL22693538 0.83 AOC3 (0.53) MEN1KMT2AAOC3GRM5
SCHEMBL22693539 0.83 AOC3 (0.53) MEN1KMT2AAOC3GRM5
SCHEMBL11415973 0.83 DRD2 (0.47) AOC3DRD1DRD5DRD2DRD3
SCHEMBL16375197 0.82 AOC3 (0.55) MEN1KMT2AAOC3GRM5
SCHEMBL13322633 0.80 GRM5 (0.51) GRM5DRD1DRD5DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 — — US disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 — — EP disclosed
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 — — US disclosed
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 — — CN disclosed
EP-4277902-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2023-11-22 — — EP disclosed
CN-116940565-A Isoindolinone aminopyrimidine compounds as inhibitors of NUAK kinase, compositions and uses thereof 安大略省癌症研究所(OICR) 2023-10-24 — — CN disclosed
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 — — EP disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 — — US disclosed
WO-2023281417-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALTY S.A. (CH) 2023-01-12 — — WO disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 — — US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 — — US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 — — EP disclosed
WO-2010054279-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 — — WO disclosed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 — — US disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — 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 (6 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-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 MEN1 3993/4885KMT2A 1429/4885AOC3 4583/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 MEN1 3622/4885KMT2A 1743/4885AOC3 3920/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 MEN1 860/4885KMT2A 1947/4885AOC3 3827/4885
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 MEN1 3711/4885KMT2A 1610/4885AOC3 4183/4885
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 MEN1 928/4885KMT2A 437/4885AOC3 167/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 MEN1 2549/4885KMT2A 2987/4885AOC3 3417/4885

“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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