SCHEMBL2862928

SCHEMBL2862928

COc1c(C(=O)NC2CC2)ccc2[nH]nc(-c3cc4ccccc4o3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
MAOB P27338 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
KDR P35968 1/20 0.40
PTK2 Q05397 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2867115 0.89 PIP5K1C (0.45) PIP5K1CRAB9ANPC1MAOBSIRT2
SCHEMBL4339195 0.88 SIRT2 (0.40) PIP5K1CRAB9ANPC1MAOBSIRT2
SCHEMBL2866722 0.88 GSK3B (0.41) PIP5K1CSIRT2SIRT1JAK2JAK3
SCHEMBL2864933 0.86 PIP5K1C (0.48) PIP5K1CRAB9ANPC1MAOBSIRT2
SCHEMBL2872405 0.85 MAPT (0.41) MAOBSIRT2SIRT1KDRL3MBTL1
SCHEMBL4334418 0.83 ALDH1A1 (0.54) RAB9ANPC1KDM4EMEN1MAPT
SCHEMBL4334565 0.83 LMNA (0.41) JAK2JAK3KDM4EMEN1CYP1A2
SCHEMBL4336829 0.82 KDM4E (0.43) JAK2JAK3KDM4EMEN1MAPT
SCHEMBL2864594 0.82 KDR (0.47) RAB9ANPC1KDRPTK2L3MBTL1
SCHEMBL4342246 0.82 MAOA (0.40) RAB9AMAOBSIRT2SIRT1JAK2

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 10 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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
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
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-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US 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

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 PIP5K1C 1431/4885RAB9A 2355/4885NPC1 1164/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PIP5K1C 1252/4885RAB9A 2697/4885NPC1 1171/4885

“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.