SCHEMBL2524801

SCHEMBL2524801

Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)ccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.54
TGFBR1 P36897 10/20 0.47
MAPK14 Q16539 7/20 0.44
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
CSNK1D P48730 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
TGFBR2 P37173 3/20 0.40
MAP3K20 Q9NYL2 2/20 0.40
CSNK1E P49674 1/20 0.38

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
SCHEMBL14845042 0.96 THRB (0.58) THRBTGFBR1MAPK14MAPK13MAPK12
SCHEMBL29994161 0.96 THRB (0.58) THRBTGFBR1MAPK14MAPK13MAPK12
SCHEMBL14844930 0.85 TGFBR1 (0.56) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL2522580 0.83 MAPK14 (0.62) THRBTGFBR1MAPK14CSNK1DADORA2A
SCHEMBL14844378 0.82 TGFBR1 (0.46) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL24553883 0.82 ADORA2A (0.42) THRBMAPK14MAPK13MAPK12MAPK11
SCHEMBL25223834 0.82 CSNK1D (0.55) THRBMAPK14MAPK13MAPK12MAPK11
SCHEMBL29682984 0.82 MAPK14 (0.46) THRBMAPK14MAPK13MAPK12MAPK11
SCHEMBL24553862 0.82 MAPK14 (0.46) THRBMAPK14MAPK13MAPK12MAPK11
SCHEMBL29683181 0.82 ADORA2A (0.42) THRBMAPK14MAPK13MAPK12MAPK11

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 11 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-2763993-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER IP GMBH (DE) 2017-04-19 EP disclosed
US-9314026-B2 Heterocyclylpyri(mi)dinylpyrazole BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-19 US disclosed
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 US disclosed
EP-2763993-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE Bayer Intellectual Property GmbH (DE) 2014-08-13 EP 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
WO-2013050434-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO 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 THRB 3803/4885TGFBR1 2921/4885MAPK14 851/4885
US-20230192699-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK2A3, CSNK1A1, CSNK1G3 THRB 2602/4885TGFBR1 3541/4885MAPK14 76/4885
US-20140364456-A1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE H1-0, NQO2, CCNI THRB 4167/4885TGFBR1 1833/4885MAPK14 3095/4885

“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.