SCHEMBL1554419

SCHEMBL1554419

CCC(=O)Nc1cc(Br)ccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 2/20 0.57
GAA P10253 1/20 0.53
EGFR P00533 3/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
NTRK1 P04629 1/20 0.45
SORT1 Q99523 1/20 0.45
ACVRL1 P37023 1/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK14 Q16539 1/20 0.43
GPR35 Q9HC97 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL16913891 0.85 RIOK2 (0.56) RIOK2GAANTRK1SORT1RAB9A
SCHEMBL27272937 0.84 GAA (0.53) RIOK2GAAEGFRJAK2JAK1
SCHEMBL30226568 0.83 RIOK2 (0.57) RIOK2GAAEGFRJAK2TYK2
SCHEMBL16620799 0.83 RIOK2 (0.57) RIOK2GAAEGFRJAK2TYK2
SCHEMBL25223421 0.83 RIOK2 (0.53) RIOK2NTRK1SORT1RAB9ASMN1; SMN2
SCHEMBL1555088 0.83 HPGD (0.54) RIOK2EGFRNTRK1RAB9ASMN1; SMN2
SCHEMBL631091 0.81 JAK2 (0.68) GAAEGFRJAK2JAK1TYK2
SCHEMBL16311114 0.81 JAK2 (0.53) RIOK2GAAJAK2JAK1TYK2
SCHEMBL8240613 0.81 RAB9A (0.59) RIOK2RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL13922914 0.81 RAB9A (0.59) RIOK2RAB9ASMN1; SMN2NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2970323-B1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS. GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD (GB) 2017-10-18 EP disclosed
EP-2970323-B1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS. GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD (GB) 2017-10-18 EP disclosed
US-9670221-B2 Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-06-06 US disclosed
US-9670221-B2 Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-06-06 US disclosed
US-9670221-B2 Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-06-06 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO disclosed
CN-102834387-A Phenylpyri(mi)dinylpyrazoles and their use as fungicides BAYER CROPSCIENCE AG 2012-12-19 CN disclosed
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 EP disclosed
US-20110237588-A1 Thienylpyri(mi)dinylazole BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
WO-2011042389-A2 PHENYLPYRI(MI)DINYLAZOLES BAYER CROPSCIENCE AG (DE) 2011-04-14 WO disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP 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-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN RIOK2 2706/4885GAA 305/4885EGFR 4342/4885
US-20110237588-A1 Thienylpyri(mi)dinylazole PADI1, TH, H1-3 RIOK2 2163/4885GAA 2423/4885EGFR 4508/4885

“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.