SCHEMBL4331235

SCHEMBL4331235

O=C1CC[C@H](C(=O)Nc2cc(F)c3[nH]nc(-c4ccc5ccccc5c4)c3c2)N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.42
HPGDS O60760 1/20 0.41
PARP1 P09874 2/20 0.40
EGFR P00533 1/20 0.37
BUB1 O43683 1/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
ROCK1 Q13464 3/20 0.36
GSK3B P49841 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
ROCK2 O75116 1/20 0.35
SLC5A1 P13866 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL4333966 1.00 MEN1 (0.46) MEN1KMT2ASMN1; SMN2POLBHPGDS
SCHEMBL4341030 0.87 HPGDS (0.44) MEN1KMT2ASMN1; SMN2POLBHPGDS
SCHEMBL4341168 0.87 HPGDS (0.44) MEN1KMT2ASMN1; SMN2POLBHPGDS
SCHEMBL4338506 0.86 GSK3B (0.50) GSK3BABL1
SCHEMBL4334963 0.82 MEN1 (0.51) MEN1KMT2ASMN1; SMN2POLBHPGDS
SCHEMBL4335983 0.82 MEN1 (0.51) MEN1KMT2ASMN1; SMN2POLBHPGDS
SCHEMBL4335337 0.80 MAPK10 (0.52) GSK3BABL1
SCHEMBL4336464 0.80 ADORA3 (0.47) MEN1KMT2ASMN1; SMN2POLBABL1
SCHEMBL2867285 0.79 ITK (0.45) CYP1A2GSK3B
SCHEMBL4332595 0.79 PARP1 (0.45) MEN1KMT2ASMN1; SMN2POLBHPGDS

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 2212/4885SMN1; SMN2 4812/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MEN1 3782/4885KMT2A 2212/4885SMN1; SMN2 4812/4885

“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.