SCHEMBL2865030

SCHEMBL2865030

Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
METAP2 P50579 1/20 0.40
GRM4 Q14833 1/20 0.39
KDR P35968 1/20 0.39
ADRA2A P08913 2/20 0.37
PLAU P00749 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
ADORA2A P29274 1/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAOB P27338 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 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
SCHEMBL2872600 0.81 KDM4E (0.45) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL13198297 0.78 TOP2A (0.49) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL2863193 0.75 MAPKAPK2 (0.46) MAPTNPC1RAB9AKDRADORA2A
Cyclopropanecarboxylic Acid Amide SCHEMBL2864932 0.75 SIRT2 (0.48) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL4341132 0.75 ALDH1A1 (0.41) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL4341422 0.74 KDM4E (0.45) NPC1RAB9ASIRT2SIRT1KDR
SCHEMBL2864933 0.74 PIP5K1C (0.48) NPC1RAB9ASIRT2SIRT1KDR
SCHEMBL13198236 0.74 NPC1 (0.40) MAPTNPC1RAB9AGRM4PLAU
SCHEMBL4331298 0.73 KDM4E (0.42) MAPTNPC1RAB9ASIRT2SIRT1
SCHEMBL4334435 0.73 KMT2A (0.47) MAPTNPC1RAB9AHDAC2HDAC1

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 MAPT 2644/4885NPC1 1164/4885RAB9A 2355/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPT 2892/4885NPC1 1171/4885RAB9A 2697/4885

“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.