Sugi Predict

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SCHEMBL2214904

SCHEMBL2214904

Cc1cn(C)nc1C(=O)Nc1cc([Sn](C)(C)C)cc2c1cnn2S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ HTR6 P50406 5/20 0.34
▸ GRM4 Q14833 4/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL462217 0.81 PIK3CD (0.47) HTR6GRM4HPGDGSK3BDYRK1A
SCHEMBL456826 0.79 ALDH1A1 (0.44) HPGDHDAC1MAPTKMT2A
SCHEMBL1432115 0.79 HTR6 (0.36) HTR6GRM4HDAC3HDAC4HDAC1
SCHEMBL2216043 0.77 HTR6 (0.36) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1431436 0.76 TSHR (0.48) HTR6POLBMAPTKMT2A
SCHEMBL458467 0.71 HTR6 (0.43) HTR6HPGDPOLBHDAC3HDAC4
SCHEMBL1432113 0.67 HTR6 (0.39) HTR6POLBHDAC3HDAC4HDAC1
SCHEMBL14665921 0.63 HTR6 (0.45) HTR6MAPTKMT2A
SCHEMBL110249 0.63 HTR6 (0.43) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1251686 0.63 PIK3CD (0.62) HTR6GRM4HDAC1KMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 — — US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA EGFR 974/4885FGFR1 846/4885KDR 1039/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 EGFR 1660/4885FGFR1 3436/4885KDR 3668/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B EGFR 599/4885FGFR1 666/4885KDR 2013/4885

“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.