SCHEMBL2205761

SCHEMBL2205761

COc1cc2c(cc1[N+](=O)[O-])CNCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 3/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PRKDC P78527 1/20 0.39

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
SCHEMBL17197332 1.00 PNMT (0.50) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL2062089 0.92 HTR2A (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL6121898 0.89 SIRT6 (0.46) PNMTADRA2ASIRT6ALDH1A1RAB9A
SCHEMBL30875699 0.83 PNMT (0.48) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL24869968 0.83 PNMT (0.48) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL329913 0.81 HTR2A (0.61) PNMTHTR2AHTR2CHTR2BCD274
SCHEMBL29788066 0.81 HTR2A (0.61) PNMTHTR2AHTR2CHTR2BCD274
SCHEMBL18875031 0.80 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL18875034 0.80 PNMT (0.54) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL2942106 0.80 ALDH1A1 (0.43) PNMTADRA2ASIRT6ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617811-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-05-05 — — US disclosed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 — — US disclosed
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 — — US disclosed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 — — CN disclosed
CN-116096370-B HPK1 inhibitors and uses thereof 锐格药业公司 2024-12-20 — — CN disclosed
CN-115772156-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-08-06 — — CN disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 — — US disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 — — EP disclosed
EP-4175951-B1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS INC (US) 2024-05-01 — — EP disclosed
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 — — EP 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-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-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
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-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 (5 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 PNMT 3161/4885ADRA2A 855/4885HTR2A 2117/4885
US-12617811-B2 HPK1 inhibitors and uses thereof MAP2K4, MAP2K1, MAP2K3 PNMT 1250/4885ADRA2A 4248/4885HTR2A 3887/4885
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 PNMT 2048/4885ADRA2A 2954/4885HTR2A 3185/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 PNMT 3528/4885ADRA2A 3895/4885HTR2A 3154/4885
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 PNMT 4276/4885ADRA2A 1095/4885HTR2A 1185/4885

“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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