SCHEMBL2864307

SCHEMBL2864307

O=C(C=Cc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)N[C@@H](CO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.51
MAPK3 P27361 6/20 0.47
ROCK1 Q13464 4/20 0.43
ROCK2 O75116 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GSK3B P49841 1/20 0.42
DCAF1 Q9Y4B6 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL2864304 1.00 MAPK1 (0.51) MAPK1MAPK3ROCK1ROCK2ALDH1A1
SCHEMBL13198150 1.00 MAPK1 (0.51) MAPK1MAPK3ROCK1ROCK2ALDH1A1
SCHEMBL2861653 0.82 MAPK1 (0.74) MAPK1MAPK3ROCK1ROCK2
SCHEMBL2861004 0.80 MAP2K4 (0.49) MAPK1ALDH1A1HTTAURKA
SCHEMBL2861001 0.80 MAP2K4 (0.49) MAPK1ALDH1A1HTTAURKA
SCHEMBL4335876 0.77 MAPK1 (0.56) MAPK1MAPK3ROCK1ROCK2DCAF1
SCHEMBL4343387 0.75 MAPK1 (0.52) MAPK1MAPK3ROCK1ROCK2DCAF1
SCHEMBL2863368 0.75 MAPK1 (0.70) MAPK1MAPK3ROCK1ROCK2
SCHEMBL2867234 0.73 MAPK1 (0.61) MAPK1MAPK3ROCK1ROCK2
SCHEMBL4338629 0.72 MAPK1 (0.55) MAPK1MAPK3ROCK1ROCK2GSK3B

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 8 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
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-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
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 MAPK1 1/4885MAPK3 2/4885ROCK1 504/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK1 1/4885MAPK3 3/4885ROCK1 709/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885MAPK3 2/4885ROCK1 504/4885

“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.