SCHEMBL4336801

SCHEMBL4336801

O=C(NC[C@@H]1CCCO1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
KCNH2 Q12809 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL4338646 1.00 GSK3B (0.54) GSK3BKCNH2RAB9ANPC1MEN1
SCHEMBL4333955 0.87 KDM4E (0.56) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4339880 0.85 RAB9A (0.48) GSK3BKCNH2RAB9ANPC1MEN1
SCHEMBL4334964 0.85 RAB9A (0.48) GSK3BKCNH2RAB9ANPC1MEN1
SCHEMBL4345592 0.84 MEN1 (0.51) GSK3BKCNH2RAB9ANPC1MEN1
SCHEMBL4333976 0.84 MEN1 (0.51) GSK3BKCNH2RAB9ANPC1MEN1
SCHEMBL13927647 0.81 HTT (0.59) GSK3BKCNH2RAB9ANPC1MEN1
SCHEMBL4332180 0.80 ALDH1A1 (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2867207 0.80 KDR (0.48) GSK3BKCNH2RAB9ANPC1
SCHEMBL6427786 0.79 PSMD14 (0.54) RAB9ANPC1MEN1KMT2AKDM4E

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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 GSK3B 991/4885KCNH2 111/4885RAB9A 2355/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GSK3B 991/4885KCNH2 111/4885RAB9A 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.