SCHEMBL2859993

SCHEMBL2859993

N#Cc1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
ITK Q08881 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
KDR P35968 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
TRPA1 O75762 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
CA12 O43570 1/20 0.36
ERBB2 P04626 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
SCHEMBL2859630 0.82 HTR7 (0.44) ADORA1ADORA2AADORA3NPSR1NOTUM
SCHEMBL2864472 0.80 IKBKB (0.43) ADORA1ADORA2AMAPK8MAPK9MAPK10
SCHEMBL4083128 0.77 ITK (0.64) ADORA1ADORA2AITKMAPK8MAPK9
SCHEMBL2869259 0.77 MAPK8 (0.39) ADORA1ADORA2AADORA3MAPK8MAPK9
SCHEMBL2861275 0.76 CA12 (0.50) ITKMAPK8MAPK9MAPK10CDK4
SCHEMBL2870025 0.76 ROCK2 (0.44) ITKTRPA1
SCHEMBL4146041 0.75 ADORA2A (0.42) ADORA1ADORA2AITKMAPK8MAPK9
SCHEMBL2860960 0.74 CDK4 (0.45) ADORA1ADORA2AITKMAPK8MAPK9
SCHEMBL2867285 0.72 ITK (0.45) ITKMAPK8CDK4CCNA2CCND1
SCHEMBL2857629 0.72 MAP2K4 (0.46) ITKCDK4CCNA2CCND1CDK2

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 ADORA1 1820/4885ADORA2A 3048/4885ITK 3726/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ADORA1 2921/4885ADORA2A 4348/4885ITK 3628/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ADORA1 1820/4885ADORA2A 3048/4885ITK 3726/4885

“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.