SCHEMBL6178512

SCHEMBL6178512

NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCc1ccccc1OC(F)F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.65
TGFBR2 P37173 1/20 0.65
NAMPT P43490 5/20 0.47
MAPK1 P28482 6/20 0.45
LIPG Q9Y5X9 1/20 0.41
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SLC1A5 Q15758 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL412125 0.88 ACVR2A (0.70) ACVR2ATGFBR2NAMPTALDH1A1POLB
SCHEMBL411189 0.86 ACVR2A (0.79) ACVR2ATGFBR2NAMPTALDH1A1KDM4E
SCHEMBL408097 0.83 ACVR2A (0.70) ACVR2ATGFBR2NAMPT
SCHEMBL413792 0.82 ACVR2A (0.70) ACVR2ATGFBR2ALDH1A1KDM4EHPGD
SCHEMBL414392 0.82 ACVR2A (0.76) ACVR2ATGFBR2NAMPTALDH1A1KDM4E
SCHEMBL415263 0.82 ACVR2A (0.63) ACVR2ATGFBR2NAMPTALDH1A1SLC1A5
SCHEMBL414317 0.82 ACVR2A (0.62) ACVR2ATGFBR2NAMPTMAPK1KDM4E
SCHEMBL410490 0.81 ACVR2A (0.69) ACVR2ATGFBR2NAMPTMAPK1ALDH1A1
SCHEMBL410503 0.81 ACVR2A (0.68) ACVR2ATGFBR2NAMPTMAPK1KMT2A
SCHEMBL447681 0.80 ACVR2A (0.78) ACVR2ATGFBR2NAMPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590347-A1 ISOTHIAZOLE DERIVATIVES Pfizer Products Inc. (US) 2005-11-02 EP claimed
WO-2004067530-A1 ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-08-12 WO claimed
US-20040147574-A1 Isothiazole derivatives PFIZER INC 2004-07-29 US claimed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
EP-1590347-A1 ISOTHIAZOLE DERIVATIVES Pfizer Products Inc. (US) 2005-11-02 EP disclosed
WO-2004067530-A1 ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-08-12 WO disclosed
US-20040147574-A1 Isothiazole derivatives PFIZER INC 2004-07-29 US 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-20040147574-A1 Isothiazole derivatives SMAD3, SMAD2, TGFBR1 ACVR2A 85/4885TGFBR2 4/4885NAMPT 1689/4885

“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.