SCHEMBL2861383

SCHEMBL2861383

CC(C)(C)OC(=O)n1nc(Br)c2cc(C#N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MAP2K4 P45985 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
NR1H2 P55055 1/20 0.36
EGLN2 Q96KS0 4/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ELANE P08246 1/20 0.35
AR P10275 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL4781102 0.86 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL922232 0.85 MAP2K4 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL15541538 0.81 MAP2K4 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL2867015 0.80 RARG (0.38) ELANERARG
SCHEMBL9951686 0.79 MAP2K4 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL9951845 0.79 MAP2K4 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL25281552 0.78 SMN1; SMN2 (0.42) MAP2K4ELANE
SCHEMBL2861583 0.78 ELANE (0.42) GABRG2GABRB3GABRA5MAP2K4ELANE
SCHEMBL2674135 0.78 MAP2K4 (0.44) MAP2K4NR1H2ELANEL3MBTL1
SCHEMBL1457094 0.77 ELANE (0.47) MAP2K4ELANEL3MBTL1

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 GABRA1 3242/4885GABRG2 3747/4885GABRB3 2442/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 GABRA1 2945/4885GABRG2 3748/4885GABRB3 2108/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GABRA1 3242/4885GABRG2 3747/4885GABRB3 2442/4885

“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.