SCHEMBL4056987

SCHEMBL4056987

CCCOc1ccc(-c2cnc(C(=O)OC)cn2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PDK2 Q15119 1/20 0.38
LIMK1 P53667 2/20 0.38
PLA2G2A P14555 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALPL P05186 1/20 0.37
LIMK2 P53671 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
SCN9A Q15858 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL4057442 0.88 LIMK1 (0.44) MAPK10LIMK1PDE10AALDH1A1KDM4E
SCHEMBL2059749 0.81 MAPT (0.43) MAPK8MAPK10THRATHRBPDK2
SCHEMBL4056368 0.80 PDK2 (0.41) MAPK8MAPK10THRATHRBPDK2
SCHEMBL4056620 0.77 LIMK1 (0.45) MAPK10LIMK1PDE10AKDM4EALPL
SCHEMBL1436992 0.76 LIMK1 (0.37) MAPK8MAPK10THRATHRBPDK2
SCHEMBL25935035 0.76 THRA (0.54) MAPK8MAPK10THRATHRBPLA2G2A
SCHEMBL1436432 0.74 AKR1C3 (0.45) PDK2PTGES
SCHEMBL1436553 0.74 KMT2A (0.49) MAPK8MAPK10THRATHRBPDK2
SCHEMBL1436649 0.72 MAPT (0.38) MAPK8MAPK10THRATHRBPDK2
SCHEMBL1437681 0.72 TAS1R3 (0.40) MAPK8MAPK10THRATHRBPDK2

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
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 MAPK8 3607/4885MAPK10 3293/4885THRA 4757/4885

“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.