SCHEMBL4334939

SCHEMBL4334939

Cc1cc(-c2c(-c3ccc(F)cc3)noc2N)cc(C)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.62
ADORA2A P29274 7/20 0.54
ADORA1 P30542 5/20 0.54
ADORA2B P29275 3/20 0.54
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
MAPK11 Q15759 1/20 0.53
LMNA P02545 1/20 0.47
PTGS2 P35354 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
MLYCD O95822 2/20 0.42

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
SCHEMBL4333428 0.85 MAPK14 (0.66) MAPK14ADORA2AADORA1ADORA2BMAPK9
SCHEMBL6090980 0.77 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL6102776 0.77 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11MLYCD
SCHEMBL15452545 0.77 MAPK14 (0.67) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL4329223 0.75 MAPK14 (0.69) MAPK14ADORA2AADORA2BMAPK9MAPK10
SCHEMBL4334618 0.73 MAPK14 (0.66) MAPK14ADORA2AADORA2BMAPK9MAPK10
SCHEMBL4330136 0.73 MAPK14 (0.57) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL4333425 0.73 MAPK14 (0.61) MAPK14ADORA2AMAPK9MAPK10MAPK11
SCHEMBL1875864 0.73 MAPK14 (0.66) MAPK14MAPK9MAPK10MAPK11LMNA
SCHEMBL17532580 0.73 BRD4 (0.68) MAPK14MAPK9MAPK10MAPK11LMNA

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-8207203-B2 Pyridylisoxazole derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 EP 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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 MAPK14 43/4885ADORA2A 1351/4885ADORA1 1346/4885

“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.