SCHEMBL249274

SCHEMBL249274

NC(=O)C(Br)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KCNN4 O15554 1/20 0.42
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
EPHX1 P07099 1/20 0.40
LMNA P02545 1/20 0.39
ALPG P10696 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
SCHEMBL27175927 0.89 CES2 (0.48) CES2CES1EPHX1
SCHEMBL182749 0.80 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL182750 0.80 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7473641 0.80 MEN1 (0.49) CES2CES1EPHX1SMN1; SMN2
SCHEMBL2119 0.80 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10970686 0.80 ESR1 (0.43) ALDH1A1CES2CES1LMNANPC1
SCHEMBL306474 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7680152 0.78 CES2 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL330957 0.78 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8763327 0.78 ALOX5 (0.48) ALDH1A1CES2CES1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958861-B2 Spirocyclic lactams as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2024-04-16 US disclosed
CN-117447514-A Interface modification material, preparation method and application thereof in solar cell 南昌大学 2024-01-26 CN disclosed
EP-4298099-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS Incyte Corporation (US) 2024-01-03 EP disclosed
US-20220281887-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-09-08 US disclosed
WO-2022182839-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2022-09-01 WO disclosed
EP-2588457-B1 PYRAZOLOQUINOLINE DERIVATIVES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-8802712-B2 Pyrazoloquinolines MERCK PATENT GMBH (DE) 2014-08-12 US disclosed
US-8802712-B2 Pyrazoloquinolines MERCK PATENT GMBH (DE) 2014-08-12 US disclosed
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
EP-2588457-A1 PYRAZOLO-QUINOLINES Merck Patent GmbH (DE) 2013-05-08 EP disclosed
CN-103080092-A Pyrazolo-quinolines MERCK PATENT GMBH 2013-05-01 CN disclosed
WO-2012000632-A1 PYRAZOLO-QUINOLINES MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 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 (3 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-11958861-B2 Spirocyclic lactams as JAK2 V617F inhibitors JAK2, JAK1, STAT5A HDAC3 2026/4885HDAC4 1708/4885HDAC1 1167/4885
US-20130150359-A1 PYRAZOLOQUINOLINES PLK1, PKN3, PKN1 HDAC3 1646/4885HDAC4 2484/4885HDAC1 1286/4885
US-20220281887-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS JAK2, JAK1, STAT5A HDAC3 2026/4885HDAC4 1708/4885HDAC1 1167/4885

“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.