SCHEMBL2859865

SCHEMBL2859865

Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 12/20 0.51
AURKA O14965 1/20 0.47
NTRK1 P04629 1/20 0.44
HTR7 P34969 1/20 0.44
ADORA2A P29274 1/20 0.43
TDO2 P48775 1/20 0.43
AXL P30530 1/20 0.43
MAP2K7 O14733 4/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40

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
SCHEMBL22446034 0.86 MAP2K4 (0.59) MAP2K4AURKAAXLCLK2DYRK1A
SCHEMBL2862716 0.82 NTRK1 (0.55) MAP2K4AURKANTRK1HTR7
SCHEMBL2857593 0.82 MAP2K4 (0.48) MAP2K4AURKANTRK1HTR7TDO2
SCHEMBL14516332 0.81 AURKA (0.59) MAP2K4AURKANTRK1HTR7ADORA2A
SCHEMBL2860721 0.81 AXL (0.61) MAP2K4AURKAAXLMAP2K7MAPK1
SCHEMBL2864682 0.80 MAPKAPK2 (0.50) MAP2K4AURKAADORA2AMAPKAPK2
SCHEMBL2868118 0.79 MAP2K4 (0.48) MAP2K4NTRK1HTR7ADORA2ATDO2
SCHEMBL2857674 0.78 MAP2K4 (0.60) MAP2K4MAP2K7MAPK1MAPKAPK3MAPK6
SCHEMBL2860957 0.76 AURKA (0.66) MAP2K4AURKAHTR7ADORA2ATDO2
SCHEMBL2862227 0.76 ADORA2A (0.49) MAP2K4AURKAHTR7ADORA2ATDO2

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 13 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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
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
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-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US 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 MAP2K4 61/4885AURKA 502/4885NTRK1 1241/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAP2K4 53/4885AURKA 779/4885NTRK1 1387/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP2K4 61/4885AURKA 502/4885NTRK1 1241/4885

“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.