SCHEMBL2117033

SCHEMBL2117033

O=C1c2ccc(Br)cc2CN1CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PRMT5 O14744 4/20 0.41
WDR77 Q9BQA1 4/20 0.41
JAK2 O60674 6/20 0.38
JAK1 P23458 6/20 0.38
SDCBP O00560 1/20 0.38
SDC2 P34741 1/20 0.38
METAP1 P53582 1/20 0.37
TDP2 O95551 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
BACE1 P56817 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL29644814 0.85 PRMT5 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1500248 0.82 PRMT5 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1500323 0.82 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL2119543 0.82 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL31409505 0.82 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL29143992 0.80 PRMT5 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1029578 0.80 HSD17B3 (0.49) PRMT5WDR77SDCBPSDC2METAP1
SCHEMBL1027654 0.79 PRMT5 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1500413 0.78 PRMT5 (0.41) PRMT5WDR77SDCBPSDC2METAP1
SCHEMBL3728881 0.78 KDM4E (0.54) HDAC3HDAC4HDAC1HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
EP-2976340-B1 CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-13 EP disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-7767672-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
WO-2008128009-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-23 WO disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 US disclosed
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-08 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 (2 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-20100310675-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 HDAC3 4044/4885HDAC4 3351/4885HDAC1 3199/4885
US-20070259869-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 HDAC3 4044/4885HDAC4 3351/4885HDAC1 3199/4885

“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.