SCHEMBL2858848

SCHEMBL2858848

COc1cccc(CNC(=O)c2ccc3c(-c4cccc(F)c4)n[nH]c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
MMP13 P45452 2/20 0.55
ROCK1 Q13464 4/20 0.54
PRKACA P17612 2/20 0.54
PRKACG P22612 1/20 0.54
PRKACB P22694 1/20 0.54
AURKA O14965 1/20 0.54
MAPT P10636 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL2864643 0.88 SMN1; SMN2 (0.56) ROCK2SMN1; SMN2ROCK1PRKACAPRKACG
SCHEMBL2868742 0.87 TTK (0.57) ROCK2SMN1; SMN2MMP13ROCK1AURKA
SCHEMBL2862186 0.86 SMN1; SMN2 (0.56) ROCK2SMN1; SMN2MMP13ROCK1PRKACA
SCHEMBL2862635 0.84 DGAT2 (0.56) ROCK2SMN1; SMN2MMP13ROCK1AURKA
SCHEMBL2872610 0.84 DGAT2 (0.56) ROCK2SMN1; SMN2MMP13ROCK1AURKA
SCHEMBL2864882 0.82 TP53 (0.53) ROCK2SMN1; SMN2MMP13ROCK1PRKACA
SCHEMBL2864651 0.81 APEX1 (0.52) ROCK2SMN1; SMN2ROCK1PRKACAPRKACG
SCHEMBL13198231 0.80 MAPT (0.51) ROCK2SMN1; SMN2MMP13ROCK1PRKACA
SCHEMBL2863001 0.79 NTRK1 (0.56) ROCK2ROCK1HPGD
SCHEMBL31632976 0.79 MAP2K4 (0.72) GSK3AGSK3B

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 15 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
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
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 ROCK2 805/4885SMN1; SMN2 4812/4885MMP13 2029/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ROCK2 1152/4885SMN1; SMN2 4781/4885MMP13 2137/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK2 805/4885SMN1; SMN2 4812/4885MMP13 2029/4885

“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.