SCHEMBL4499322

SCHEMBL4499322

O=C(CCc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccnc(NCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.72
MAPK13 O15264 5/20 0.51
MAPK12 P53778 5/20 0.51
MAPK11 Q15759 5/20 0.51
MAPK10 P53779 1/20 0.51
CSNK1D P48730 4/20 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
SCHEMBL4339566 0.91 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL4348749 0.90 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL4337049 0.90 MAPK14 (0.72) MAPK14MAPK10CSNK1D
SCHEMBL4339804 0.89 MAPK14 (0.71) MAPK14CSNK1D
SCHEMBL4340355 0.86 MAPK14 (0.76) MAPK14MAPK11MAPK10CSNK1D
SCHEMBL4332951 0.81 MAPK14 (0.72) MAPK14MAPK11MAPK10CSNK1D
SCHEMBL4336750 0.80 MAPK14 (0.71) MAPK14CSNK1D
SCHEMBL4332765 0.80 MAPK14 (0.74) MAPK14MAPK11MAPK10
SCHEMBL4340449 0.80 MAPK14 (0.70) MAPK14CSNK1D
SCHEMBL4336207 0.79 MAPK14 (0.78) MAPK14MAPK11MAPK10CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576914-B2 Drug for treating or preventing disorder caused by TGF-β signaling, and application thereof THE DOSHISHA (JP) 2023-02-14 US disclosed
US-20210008067-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF-ß SIGNALLING, AND APPLICATION THEREOF THE DOSHISHA (JP) 2021-01-14 US disclosed
EP-3659626-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF- SIGNALLING, AND APPLICATION THEREOF The Doshisha (JP) 2020-06-03 EP disclosed
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 (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-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 MAPK14 43/4885MAPK13 41/4885MAPK12 51/4885
US-11576914-B2 Drug for treating or preventing disorder caused by TGF-β signaling, and application thereof TGFBR1, FIBP, TGFB1 MAPK14 133/4885MAPK13 55/4885MAPK12 46/4885
US-20210008067-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF-ß SIGNALLING, AND APPLICATION THEREOF TGFBR1, TGFB1, FIBP MAPK14 120/4885MAPK13 53/4885MAPK12 47/4885

“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.