SCHEMBL4332741

SCHEMBL4332741

CC(=O)Nc1onc(-c2ccncc2)c1-c1ccncc1.c1cc2cc-2c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.73
MLYCD O95822 2/20 0.50
HSP90AA1 P07900 5/20 0.47
KDR P35968 3/20 0.44
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 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
SCHEMBL4339552 0.87 MAPK14 (0.66) MAPK14MLYCDHSP90AA1CA1CA2
SCHEMBL4337134 0.86 MAPK14 (0.56) MAPK14MLYCDHSP90AA1KDRALDH1A1
SCHEMBL4332734 0.73 MAPK14 (0.87) MAPK14MLYCDALDH1A1
SCHEMBL6316904 0.73 ALDH1A1 (0.45) MAPK14HSP90AA1KDRALDH1A1ALOX12
SCHEMBL4340549 0.73 MAPK14 (0.85) MAPK14MLYCD
SCHEMBL4332793 0.73 MAPK14 (0.51) MAPK14MLYCDALDH1A1
SCHEMBL4335680 0.73 MAPK14 (0.70) MAPK14ALDH1A1
SCHEMBL4332789 0.72 MAPK14 (0.63) MAPK14MLYCDALDH1A1MAPK1
SCHEMBL4329415 0.72 MAPK14 (0.71) MAPK14ALDH1A1MAPK1
SCHEMBL4334980 0.72 MAPK14 (0.88) MAPK14MLYCDSMN1; SMN2

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 43/4885MLYCD 4475/4885HSP90AA1 2550/4885
US-11576914-B2 Drug for treating or preventing disorder caused by TGF-β signaling, and application thereof TGFBR1, FIBP, TGFB1 MAPK14 133/4885MLYCD 4583/4885HSP90AA1 3245/4885
US-20210008067-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF-ß SIGNALLING, AND APPLICATION THEREOF TGFBR1, TGFB1, FIBP MAPK14 120/4885MLYCD 4591/4885HSP90AA1 3272/4885

“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.