SCHEMBL4338783

SCHEMBL4338783

Cc1cc(NC(=O)C2CCCO2)cc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.48
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 1/20 0.46
MAP4K4 O95819 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
USP2 O75604 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
RAB9A P51151 5/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL4343139 0.92 POLB (0.49) KDM4ELMNAPOLBALDH1A1NPC1
SCHEMBL4341417 0.85 GSK3A (0.55) POLBHSD17B10ADORA3ADORA2AADORA1
SCHEMBL4332106 0.83 MAPK10 (0.47) POLBMAP4K4
SCHEMBL2868379 0.80 TTK (0.47) MAPTADORA3ADORA2AADORA1
SCHEMBL4332595 0.80 PARP1 (0.45) POLBHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL4343149 0.80 PARP1 (0.45) POLBHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL4336464 0.79 ADORA3 (0.47) KDM4ELMNAPOLBALDH1A1NPC1
SCHEMBL4336397 0.76 HPGD (0.61) KDM4ELMNAPOLBALDH1A1NPC1
SCHEMBL4336379 0.76 HPGD (0.61) KDM4ELMNAPOLBALDH1A1NPC1
SCHEMBL4345565 0.75 MAPK10 (0.47) MAP4K4ADORA3ADORA2AADORA1

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 KDM4E 2531/4885LMNA 1893/4885POLB 4277/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDM4E 2531/4885LMNA 1893/4885POLB 4277/4885

“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.