SCHEMBL2864643

SCHEMBL2864643

COc1cccc(CNC(=O)c2cc3c(-c4cccc(F)c4)n[nH]c3cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 1/20 0.54
MAPT P10636 2/20 0.53
PRKACA P17612 3/20 0.51
PRKACG P22612 2/20 0.51
PRKACB P22694 2/20 0.51
ROCK2 O75116 8/20 0.51
ROCK1 Q13464 4/20 0.51
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
PRKX P51817 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PRKCQ Q04759 1/20 0.50
AURKA O14965 2/20 0.49

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
SCHEMBL2862186 0.93 SMN1; SMN2 (0.56) SMN1; SMN2TP53MAPTPRKACAPRKACG
SCHEMBL2858848 0.88 ROCK2 (0.59) SMN1; SMN2MAPTPRKACAPRKACGPRKACB
SCHEMBL2864882 0.85 TP53 (0.53) SMN1; SMN2TP53MAPTPRKACAPRKACG
SCHEMBL2864651 0.84 APEX1 (0.52) SMN1; SMN2TP53MAPTPRKACAPRKACG
SCHEMBL2868742 0.83 TTK (0.57) SMN1; SMN2MAPTROCK2ROCK1MAPK1
SCHEMBL13635356 0.81 TTK (0.50) GSK3AGSK3BMAPK1CSNK1D
SCHEMBL4329328 0.80 RECQL (0.60) TP53MAPTROCK2ROCK1HCRTR1
SCHEMBL2862635 0.80 DGAT2 (0.56) SMN1; SMN2ROCK2ROCK1AURKACSNK1D
SCHEMBL13198231 0.80 MAPT (0.51) SMN1; SMN2TP53MAPTPRKACAPRKACG
SCHEMBL4336457 0.79 MAPK1 (0.50) MAPK1MAPK8

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 11 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-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-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-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (3 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 SMN1; SMN2 4812/4885TP53 1560/4885MAPT 2644/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 SMN1; SMN2 4781/4885TP53 2280/4885MAPT 2892/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SMN1; SMN2 4812/4885TP53 1560/4885MAPT 2644/4885

“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.