SCHEMBL4334945

SCHEMBL4334945

CC(=O)NC(C(N)=O)n1nc(-c2cccc(F)c2)c2c(F)c(C(=O)O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 9/20 0.38
CSNK1D P48730 6/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PTGER1 P34995 1/20 0.35
DCLRE1B Q9H816 1/20 0.34
DHODH Q02127 2/20 0.34
TACR3 P29371 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
KDR P35968 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4343214 0.89 CSNK1E (0.35) CSNK1ECSNK1DADORA3ADORA2AADORA2B
SCHEMBL4334488 0.83 PTGER1 (0.37) CSNK1ECSNK1DADORA3ADORA2AADORA2B
SCHEMBL4340947 0.83 PTGER1 (0.36) CSNK1ECSNK1DPTGER1DCLRE1BDHODH
SCHEMBL4341004 0.83 PTGER1 (0.36) CSNK1ECSNK1DADORA1PTGER1DCLRE1B
SCHEMBL4334606 0.82 PTPN11 (0.41) CSNK1ECSNK1DPTGER1TACR3
SCHEMBL4339201 0.80 JAK2 (0.38) CSNK1ECSNK1DPTGER1DCLRE1BDHODH
SCHEMBL4340976 0.80 MAPT (0.38) CSNK1ECSNK1DPTGER1TACR3
SCHEMBL4332493 0.79 IKBKB (0.36) JAK2JAK3
SCHEMBL4346820 0.78 PTGER1 (0.40) CSNK1ECSNK1DPTGER1DCLRE1BDHODH
SCHEMBL4331950 0.76 CTSA (0.37) CSNK1ECSNK1DPTGER1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CSNK1E 202/4885CSNK1D 134/4885ADORA3 1577/4885

“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.