SCHEMBL2866229

SCHEMBL2866229

COc1[c]ccc2c1c(-c1cc3ccccc3s1)nn2C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
IKBKB O14920 1/20 0.38
PLAU P00749 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ERN1 O75460 1/20 0.34
TNFRSF1A P19438 6/20 0.34
PGK1 P00558 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
FYN P06241 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL2864563 0.85 IKBKB (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2871125 0.81 SRC (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2865454 0.74 JAK2 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2861524 0.72 IKBKB (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2864415 0.69 DRD2 (0.44) IKBKBPLAUJAK2JAK3SIRT2
SCHEMBL7451269 0.66 ERN1 (0.40) ERN1TNFRSF1AFYN
SCHEMBL13198215 0.65 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2863191 0.64 SRC (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4334931 0.63 ACLY (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4793960 0.60 IKBKB (0.40) IKBKBPLAUSIRT2SIRT1TNFRSF1A

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 PIK3CD 2115/4885PIK3CA 2859/4885PIK3CB 2010/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PIK3CD 2297/4885PIK3CA 3584/4885PIK3CB 2043/4885

“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.