SCHEMBL4348193

SCHEMBL4348193

O=C1CC[C@H](C(=O)Nc2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
GSK3A P49840 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGDS O60760 1/20 0.42
MAP2K4 P45985 6/20 0.41
MAP2K7 O14733 1/20 0.40
PARP1 P09874 2/20 0.40
MAPK1 P28482 1/20 0.39
CDK9 P50750 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
DYRK1A Q13627 1/20 0.38
WNT1 P04628 1/20 0.38
CLK2 P49760 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4339882 1.00 GSK3B (0.48) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL4326338 0.89 GSK3A (0.45) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL13198283 0.89 GSK3A (0.45) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL4334963 0.87 MEN1 (0.51) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL4335983 0.87 MEN1 (0.51) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL4333014 0.85 GSK3B (0.65) GSK3BGSK3AMAP2K4ADORA3ADORA2A
SCHEMBL4341112 0.84 MEN1 (0.44) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL4336504 0.84 MEN1 (0.44) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL5030211 0.84 MEN1 (0.45) GSK3BGSK3AMEN1KMT2ASMN1; SMN2
SCHEMBL4341030 0.81 HPGDS (0.44) GSK3BGSK3AMEN1KMT2ASMN1; SMN2

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 GSK3B 991/4885GSK3A 1159/4885MEN1 3782/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GSK3B 991/4885GSK3A 1159/4885MEN1 3782/4885

“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.