SCHEMBL2864933

SCHEMBL2864933

O=C(NC1CC1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAOB P27338 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KDR P35968 1/20 0.41
CHEK1 O14757 1/20 0.39
CRHR1 P34998 1/20 0.38
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
ADRA2A P08913 1/20 0.37
MCHR1 Q99705 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MAPK8 P45983 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL2862928 0.86 PIP5K1C (0.46) PIP5K1CNPC1RAB9AMAOBSIRT2
SCHEMBL2872600 0.84 KDM4E (0.45) PIP5K1CNPC1RAB9AMAOBSIRT2
SCHEMBL4331298 0.83 KDM4E (0.42) NPC1RAB9AMAOBSIRT2SIRT1
SCHEMBL2867115 0.82 PIP5K1C (0.45) PIP5K1CNPC1RAB9AMAOBSIRT2
SCHEMBL2861587 0.81 KDR (0.49) NPC1RAB9AKDRCHEK1GSK3B
Cyclopropanecarboxylic Acid Amide SCHEMBL2864932 0.81 SIRT2 (0.48) PIP5K1CNPC1RAB9AMAOBSIRT2
SCHEMBL4341132 0.80 ALDH1A1 (0.41) NPC1RAB9AMAOBSIRT2SIRT1
SCHEMBL4341026 0.79 TSHR (0.41) NPC1RAB9AMAOB
SCHEMBL13198263 0.79 MKNK1 (0.48) NPC1RAB9AMAOBSIRT2SIRT1
SCHEMBL4334476 0.79 MKNK1 (0.48) NPC1RAB9AMAOBSIRT2SIRT1

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 12 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-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

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 PIP5K1C 1431/4885NPC1 1164/4885RAB9A 2355/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PIP5K1C 1252/4885NPC1 1171/4885RAB9A 2697/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 PIP5K1C 1431/4885NPC1 1164/4885RAB9A 2355/4885

“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.