SCHEMBL2518490

SCHEMBL2518490

OCc1cc(-c2ccc(F)cc2)nn1CCCl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.44
HDAC3 O15379 11/20 0.44
HDAC4 P56524 11/20 0.44
HDAC1 Q13547 11/20 0.44
HDAC7 Q8WUI4 11/20 0.44
HDAC2 Q92769 11/20 0.44
HDAC10 Q969S8 11/20 0.44
HDAC11 Q96DB2 11/20 0.44
HDAC8 Q9BY41 11/20 0.44
HDAC9 Q9UKV0 11/20 0.44
HDAC5 Q9UQL6 11/20 0.44
NCOR2 Q9Y618 4/20 0.44
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
FYN P06241 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL25229997 0.92 HDAC6 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL25277730 0.85 HDAC6 (0.52) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28136805 0.77 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL25272777 0.77 HDAC6 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29050068 0.77 HDAC6 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29049990 0.76 HDAC6 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29514295 0.75 HDAC6 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29514218 0.74 HDAC6 (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28946897 0.73 HDAC6 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2522534 0.73 HDAC6 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2023-06-22 US disclosed
EP-4126878-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
CN-115335057-A Method for inhibiting casein kinase 北京原基华毅生物科技有限公司 2022-11-11 CN disclosed
CN-115298183-A Compounds as casein kinase inhibitors 北京原基华毅生物科技有限公司 2022-11-04 CN disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
EP-3157925-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS Bristol-Myers Squibb Company (US) 2017-04-26 EP disclosed
WO-2015195880-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
WO-2015195880-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 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 (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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR HDAC6 1530/4885HDAC3 1541/4885HDAC4 2214/4885
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK2A3, CSNK1A1, CSNK1G3 HDAC6 839/4885HDAC3 405/4885HDAC4 324/4885
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS CSNK1A1, CSNK1G1, CSNK1E HDAC6 1703/4885HDAC3 1417/4885HDAC4 1577/4885

“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.