SCHEMBL4345592

SCHEMBL4345592

O=C(NC[C@H]1CCCO1)c1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GSK3B P49841 2/20 0.50
KCNH2 Q12809 1/20 0.50
HPGD P15428 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
MAPK14 Q16539 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4333976 1.00 MEN1 (0.51) MEN1KMT2AGSK3BKCNH2HPGD
SCHEMBL4331604 0.88 HPGD (0.61) MEN1KMT2AGSK3BKCNH2HPGD
SCHEMBL4332657 0.88 HPGD (0.61) MEN1KMT2AGSK3BKCNH2HPGD
SCHEMBL2862711 0.86 HDAC3 (0.47) GSK3BKCNH2CYP2C9MAPK14
SCHEMBL4338646 0.84 GSK3B (0.54) MEN1KMT2AGSK3BKCNH2HPGD
SCHEMBL4336801 0.84 GSK3B (0.54) MEN1KMT2AGSK3BKCNH2HPGD
SCHEMBL6427786 0.84 PSMD14 (0.54) MEN1KMT2AHPGDGAARAB9A
SCHEMBL13635757 0.81 ITK (0.34) MEN1KMT2AGSK3BKCNH2
SCHEMBL4336397 0.81 HPGD (0.61) MEN1KMT2AGSK3BKCNH2HPGD
SCHEMBL4336379 0.81 HPGD (0.61) MEN1KMT2AGSK3BKCNH2HPGD

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 7 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
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-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 MEN1 3782/4885KMT2A 2212/4885GSK3B 991/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MEN1 3782/4885KMT2A 2212/4885GSK3B 991/4885

“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.