SCHEMBL2860003

SCHEMBL2860003

N#Cc1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.54
JAK2 O60674 1/20 0.52
LRRK2 Q5S007 14/20 0.50
ATM Q13315 1/20 0.50
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MAPK1 P28482 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL2859279 0.84 ITK (0.64) ITKLRRK2
SCHEMBL2864778 0.83 ITK (0.54) ITKLRRK2HTR7
SCHEMBL2868413 0.80 LRRK2 (0.58) ITKLRRK2ADORA2AADORA2BADORA1
SCHEMBL2865013 0.80 LRRK2 (0.57) ITKLRRK2MAPK1
SCHEMBL5373058 0.79 MAP2K4 (0.63) ITKLRRK2
SCHEMBL4083128 0.78 ITK (0.64) ITKLRRK2ADORA2AADORA1
SCHEMBL17696918 0.77 AURKA (0.60) ITKLRRK2ADORA2AADORA1MAPK1
SCHEMBL4811755 0.76 FADS1 (0.74) LRRK2MAPK1
SCHEMBL2857828 0.75 LRRK2 (0.54) ITKLRRK2MAPK1
SCHEMBL5379650 0.75 MAPK1 (0.61) ITKLRRK2MAPK1

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 ITK 3726/4885JAK2 145/4885LRRK2 282/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ITK 3628/4885JAK2 247/4885LRRK2 817/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ITK 3726/4885JAK2 145/4885LRRK2 282/4885

“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.