SCHEMBL2859988

SCHEMBL2859988

CCNC(=O)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.57
TTK P33981 6/20 0.55
AURKB Q96GD4 2/20 0.55
PLK4 O00444 1/20 0.55
CHEK2 O96017 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
NTRK1 P04629 2/20 0.54
AURKA O14965 4/20 0.53
MAPK1 P28482 3/20 0.52
ABL1 P00519 1/20 0.52
MAPK8 P45983 1/20 0.51
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
PDPK1 O15530 1/20 0.48
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL27558704 0.83 TTK (0.56) TTKAURKBPLK4CHEK2CYP3A4
SCHEMBL5380958 0.82 AURKA (0.58) ITKTTKAURKBPLK4CHEK2
SCHEMBL5783999 0.81 AURKA (0.57) ITKTTKAURKBPLK4CHEK2
SCHEMBL2870906 0.79 TTK (0.72) TTKAURKBNTRK1AURKACLK2
SCHEMBL13742747 0.78 AURKA (0.56) ITKTTKAURKBNTRK1AURKA
SCHEMBL5386918 0.78 TTK (0.56) ITKTTKAURKBPLK4CHEK2
SCHEMBL2861637 0.77 PDPK1 (0.59) ITKNTRK1AURKACLK2DYRK1A
SCHEMBL2861303 0.76 TTK (0.75) TTKAURKBNTRK1AURKA
SCHEMBL2869839 0.76 MAP2K4 (0.61) ITKTTKAURKBPLK4NTRK1
SCHEMBL13480551 0.75 KMT2A (0.62)

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 14 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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 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

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 3726/4885TTK 1201/4885AURKB 520/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ITK 3628/4885TTK 1066/4885AURKB 756/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ITK 3726/4885TTK 1201/4885AURKB 520/4885

“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.