SCHEMBL4338787

SCHEMBL4338787

C[C@H](NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.40
TTK P33981 3/20 0.40
DCAF1 Q9Y4B6 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
DYRK1A Q13627 2/20 0.38
SCN9A Q15858 1/20 0.38
KDR P35968 1/20 0.38
LRRK2 Q5S007 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MAP2K7 O14733 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PDE2A O00408 1/20 0.36
NTRK1 P04629 1/20 0.36
MAPK1 P28482 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
SCHEMBL4339304 0.86 SCN9A (0.39) MAP2K4TTKDYRK1ASCN9AKDR
SCHEMBL4338871 0.83 MAP2K4 (0.43) MAP2K4TTKDCAF1CSNK1DMAP2K7
SCHEMBL5030038 0.81 CHEK1 (0.39) DYRK1ASCN9AKDRMAOAMAOB
SCHEMBL5032419 0.80 SCN9A (0.46) MAP2K4DYRK1ASCN9AMAOAMAOB
SCHEMBL27536113 0.80 MAP2K4 (0.47) MAP2K4TTKCSNK1DDYRK1AKDR
SCHEMBL4343387 0.80 MAPK1 (0.52) DCAF1MAPK1
SCHEMBL2863486 0.79 MAP2K4 (0.52) MAP2K4TTKKDRMAPK1
SCHEMBL4334940 0.79 MAP4K4 (0.48) MAP2K4TTKDYRK1AJAK2JAK3
SCHEMBL2866826 0.78 DYRK1A (0.52) MAP2K4CSNK1DCSNK1EDYRK1AKDR
SCHEMBL13198255 0.78 SIRT2 (0.40) JAK2JAK3NTRK1

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 6 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-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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (2 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 61/4885TTK 1201/4885DCAF1 2049/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP2K4 61/4885TTK 1201/4885DCAF1 2049/4885

“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.