SCHEMBL6090980

SCHEMBL6090980

Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 1.00
MAPK10 P53779 3/20 0.69
MAPK9 P45984 2/20 0.69
MAPK11 Q15759 2/20 0.69
MLYCD O95822 3/20 0.64
CSNK1D P48730 1/20 0.62
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
SRC P12931 1/20 0.49
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL6102776 1.00 MAPK14 (1.00) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL4333467 0.84 MAPK14 (0.72) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL4341533 0.84 MAPK14 (0.72) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL4342443 0.83 MAPK14 (0.71) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL6092413 0.82 MAPK14 (0.69) MAPK14MAPK10MAPK9MAPK11CSNK1D
SCHEMBL4329223 0.82 MAPK14 (0.69) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL1877377 0.82 MAPK14 (1.00) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL4341435 0.81 MAPK14 (0.68) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL4334590 0.81 MAPK14 (0.68) MAPK14MAPK10MAPK9MAPK11MLYCD
SCHEMBL27765845 0.81 MAPK14 (0.68) MAPK14MAPK10MAPK9MAPK11MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128759-A1 Substituted isoxazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2006-06-15 US disclosed
EP-1530468-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-05-18 EP disclosed
WO-2004017968-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2004-03-04 WO 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-20060128759-A1 Substituted isoxazole derivatives and their use in pharmaceutics IFNG, IRF3, IL2 MAPK14 3157/4885MAPK10 4498/4885MAPK9 3095/4885

“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.