SCHEMBL2861583

SCHEMBL2861583

COC(=O)c1ccc2c(c1)c(Br)nn2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.42
MAP2K4 P45985 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NOTUM Q6P988 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
FGFR1 P11362 1/20 0.37
KIF11 P52732 1/20 0.37
MAPT P10636 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
F2 P00734 2/20 0.36
PLAU P00749 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
XDH P47989 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4783390 0.86 KDM4E (0.43) ELANEMAP2K4KDM4EPKMRAB9A
SCHEMBL18108772 0.85 MAP2K4 (0.44) ELANEMAP2K4KDM4EPKMRAB9A
SCHEMBL15541538 0.81 MAP2K4 (0.43) ELANEMAP2K4HDAC1HDAC6BRD4
SCHEMBL9951845 0.79 MAP2K4 (0.40) ELANEMAP2K4RAB9ANPC1HDAC1
SCHEMBL9951686 0.79 MAP2K4 (0.40) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL15687456 0.79 BRD4 (0.41) ELANEMAP2K4KDM4ERAB9ANPC1
SCHEMBL21012205 0.79 MAP2K4 (0.41) ELANEMAP2K4KDM4ENOTUMPKM
SCHEMBL18108638 0.78 KDM4E (0.46) MAP2K4KDM4ERAB9ANPC1MAPT
SCHEMBL2861383 0.78 GABRA1 (0.40) ELANEMAP2K4GABRG2GABRB3GABRA5
SCHEMBL18511974 0.78 ELANE (0.65) ELANEMAP2K4F2PLAUKLKB1

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 10 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
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 ELANE 3796/4885MAP2K4 61/4885KDM4E 2531/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ELANE 4492/4885MAP2K4 53/4885KDM4E 2430/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ELANE 3796/4885MAP2K4 61/4885KDM4E 2531/4885

“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.