SCHEMBL5772998

SCHEMBL5772998

Nc1nccc(-c2[nH]c(C3OCC(CO)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.48
MAPK13 O15264 10/20 0.48
MAPK12 P53778 10/20 0.48
MAPK11 Q15759 10/20 0.48
MAPK9 P45984 3/20 0.43
RIPK2 O43353 1/20 0.43
DYRK3 O43781 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
MAPK1 P28482 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL5771467 0.87 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1A1
SCHEMBL5771542 0.86 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769779 0.86 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771209 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769405 0.86 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5768978 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768864 0.85 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770345 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770404 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769948 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D

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
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK14 1915/4885MAPK13 1610/4885MAPK12 2766/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPK14 1376/4885MAPK13 892/4885MAPK12 1368/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPK14 1203/4885MAPK13 1574/4885MAPK12 1729/4885

“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.