SCHEMBL2214192

SCHEMBL2214192

CCn1ncc(Cl)c1C(=O)Nc1cc(-c2cccc3[nH]ncc23)cc2[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PIK3CD O00329 7/20 0.51
PIM1 P11309 6/20 0.51
GSK3B P49841 6/20 0.51
PIK3CG P48736 6/20 0.51
PIK3CB P42338 5/20 0.51
PIK3CA P42336 5/20 0.51
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.44
TYK2 P29597 4/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
JAK3 P52333 3/20 0.44
BLM P54132 1/20 0.43
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
ERBB2 P04626 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL2212190 0.92 PIK3CD (0.63) TSHRMAPK1TDP1PIK3CDPIM1
SCHEMBL2214401 0.88 TSHR (0.50) TSHRMAPK1TDP1PIK3CDPIM1
SCHEMBL2212949 0.85 PIK3CD (0.51) TSHRMAPK1TDP1PIK3CDPIM1
SCHEMBL2215542 0.84 TSHR (0.46) TSHRMAPK1TDP1PIK3CDPIM1
SCHEMBL2215513 0.84 PIK3CD (0.50) TSHRMAPK1TDP1PIK3CDPIM1
SCHEMBL2217190 0.82 PIK3CD (0.61) TSHRPIK3CDPIM1GSK3BPIK3CG
SCHEMBL2213104 0.80 PIK3CD (0.66) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL2214551 0.78 PIK3CD (0.63) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL2217854 0.78 PIK3CD (0.65) PIK3CDPIM1GSK3BPIK3CGPIK3CB
SCHEMBL2214510 0.78 GSK3B (0.46) TSHRMAPK1TDP1PIK3CDPIM1

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-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US claimed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP claimed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA TSHR 4135/4885MAPK1 148/4885TDP1 1072/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 TSHR 2187/4885MAPK1 4009/4885TDP1 3969/4885

“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.