SCHEMBL2522571

SCHEMBL2522571

Fc1ccc(-c2nn3c(c2I)CCCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.49
TGFBR1 P36897 6/20 0.47
MAPK14 Q16539 2/20 0.41
CSNK1E P49674 2/20 0.38
CSNK1D P48730 2/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2522902 0.98 THRB (0.48) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2522830 0.95 THRB (0.53) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2524316 0.84 PTGS2 (0.45) THRBTGFBR1MAPK14KDM4E
SCHEMBL16708797 0.83 CSNK1D (0.42) THRBTGFBR1CSNK1ECSNK1DKDM4E
SCHEMBL17382369 0.82 THRB (0.49) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL17373680 0.82 THRB (0.49) THRBTGFBR1MAPK14CSNK1ECSNK1D
SCHEMBL2526796 0.80 TGFBR1 (0.53) THRBTGFBR1MAPK14KDM4E
SCHEMBL2524961 0.80 PTGS2 (0.44) THRBTGFBR1MAPK14
SCHEMBL2521875 0.80 THRB (0.43) THRBTGFBR1MAPK14KDM4E
SCHEMBL2522456 0.79 THRB (0.44) THRBTGFBR1MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed
US-9598423-B2 Substituted 4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine derivatives as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US 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 (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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 THRB 3151/4885TGFBR1 3387/4885MAPK14 194/4885
US-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR THRB 3803/4885TGFBR1 2921/4885MAPK14 851/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 THRB 493/4885TGFBR1 2372/4885MAPK14 453/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 THRB 3151/4885TGFBR1 3387/4885MAPK14 194/4885
US-20160311824-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1A1, CSNK1E, CSNK1G1 THRB 3675/4885TGFBR1 3289/4885MAPK14 218/4885

“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.