SCHEMBL4334980

SCHEMBL4334980

O=C(CCc1ccccc1)Nc1onc(-c2ccncc2)c1-c1ccncc1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.88
LMNA P02545 1/20 0.56
KDM6B O15054 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
NPY5R Q15761 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MLYCD O95822 2/20 0.45
HCAR2 Q8TDS4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4333469 0.97 MAPK14 (0.86) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4521201 0.94 MAPK14 (0.81) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4346595 0.93 MAPK14 (0.80) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL27765823 0.93 MAPK14 (0.80) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4333402 0.91 MAPK14 (0.74) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4341309 0.91 MAPK14 (0.77) MAPK14LMNAMAPT
SCHEMBL4330078 0.90 MAPK14 (0.73) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4341935 0.90 MAPK14 (0.75) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4336989 0.90 MAPK14 (0.75) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL4332724 0.90 MAPK14 (0.78) MAPK14LMNAKDM6BKDM4DKDM4C

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 43/4885LMNA 4792/4885KDM6B 1031/4885
US-11576914-B2 Drug for treating or preventing disorder caused by TGF-β signaling, and application thereof TGFBR1, FIBP, TGFB1 MAPK14 133/4885LMNA 2922/4885KDM6B 602/4885
US-20210008067-A1 DRUG FOR TREATING OR PREVENTING DISORDER CAUSED BY TGF-ß SIGNALLING, AND APPLICATION THEREOF TGFBR1, TGFB1, FIBP MAPK14 120/4885LMNA 2928/4885KDM6B 612/4885

“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.