SCHEMBL2864563

SCHEMBL2864563

NC(=O)n1nc(-c2cc3ccccc3s2)c2c(F)[c]ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
PLAU P00749 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
ALOX5 P09917 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ERN1 O75460 1/20 0.33
HDAC2 Q92769 1/20 0.33
CDC7 O00311 1/20 0.33
SLC9A1 P19634 1/20 0.33
APP P05067 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL2866229 0.85 PIK3CD (0.40) IKBKBPLAUPIK3CDPIK3CAPIK3CB
SCHEMBL2863191 0.79 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2861524 0.79 IKBKB (0.40) IKBKBPLAUPIK3CDPIK3CAPIK3CB
SCHEMBL2865454 0.67 JAK2 (0.41) IKBKBPLAUPIK3CDPIK3CAPIK3CB
SCHEMBL2871125 0.64 SRC (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13198227 0.64 PIK3CD (0.58) IKBKBPLAUPIK3CDPIK3CAPIK3CB
SCHEMBL2855702 0.62 CA12 (0.38) IKBKBPLAUPIK3CDPIK3CAPIK3CB
SCHEMBL4793960 0.62 IKBKB (0.40) IKBKBPLAUSIRT2SIRT1ALOX5
SCHEMBL31661936 0.61 IKBKB (0.52) IKBKBPLAUPIK3CDPIK3CAPIK3CB
SCHEMBL2864679 0.59 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 IKBKB 584/4885PLAU 4860/4885PIK3CD 2115/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 IKBKB 451/4885PLAU 4833/4885PIK3CD 2297/4885

“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.