SCHEMBL2857604

SCHEMBL2857604

Cc1cc(C#N)cc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
MAP2K4 P45985 2/20 0.42
LRRK2 Q5S007 12/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
PIM1 P11309 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
CHUK O15111 1/20 0.39

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 0.88 HTR7 (0.44) HTR7MAP2K4ADORA2BADORA1ADORA2A
SCHEMBL2855887 0.85 NTRK1 (0.45) HTR7MAP2K4LRRK2ADORA2BADORA1
SCHEMBL2868409 0.80 HTR7 (0.43) HTR7MAP2K4ADORA1ADORA2APIM1
SCHEMBL2861121 0.80 ADORA2A (0.43) HTR7MAP2K4ADORA2BADORA1ADORA2A
SCHEMBL2864778 0.78 ITK (0.54) HTR7MAP2K4LRRK2
SCHEMBL2859154 0.77 CHUK (0.46) HTR7MAP2K4LRRK2ADORA2BADORA1
SCHEMBL2865225 0.76 MAP2K4 (0.59) HTR7MAP2K4ADORA2BADORA1ADORA2A
SCHEMBL2862110 0.75 MAP2K4 (0.55) HTR7MAP2K4PIM1
SCHEMBL13636072 0.75 HTR7 (0.44) HTR7MAP2K4PIM1
SCHEMBL2868379 0.73 TTK (0.47) MAP2K4ADORA2BADORA1ADORA2A

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 HTR7 1191/4885MAP2K4 61/4885LRRK2 282/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 HTR7 1607/4885MAP2K4 53/4885LRRK2 817/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 HTR7 1191/4885MAP2K4 61/4885LRRK2 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.