SCHEMBL2861601

SCHEMBL2861601

Fc1cc2c(cc1Br)c(-c1cc3ccccc3s1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
PIK3R1 P27986 1/20 0.34
MERTK Q12866 1/20 0.33
PLAU P00749 1/20 0.32
ERN1 O75460 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
APP P05067 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL2866728 0.87 PIK3CD (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2856284 0.80 SRC (0.35) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL16025545 0.76 IDO1 (0.34) ADORA2A
SCHEMBL2864575 0.75 PIK3CD (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL4145572 0.75 MAPK1 (0.30)
SCHEMBL2864530 0.74 PGK1 (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL16025844 0.73 ADORA2A (0.35) PTGS2ADORA2AADORA1
SCHEMBL2855702 0.73 CA12 (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2863181 0.70 MAPKAPK2 (0.48) PIK3CAPIK3R1ERN1APPADORA2A
SCHEMBL2862864 0.70 JAK2 (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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 8 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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PIK3CA 2859/4885PIK3CD 2115/4885PIK3CB 2010/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PIK3CA 3584/4885PIK3CD 2297/4885PIK3CB 2043/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PIK3CA 2859/4885PIK3CD 2115/4885PIK3CB 2010/4885

“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.