SCHEMBL411736

SCHEMBL411736

COc1ccc(OC)c(CCNC(=O)Nc2snc(OCc3cccnc3)c2C(N)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.72
TGFBR2 P37173 1/20 0.72
NAMPT P43490 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL21932072 0.93 ACVR2A (0.80) ACVR2ATGFBR2NAMPTL3MBTL1SGMS2
SCHEMBL413609 0.90 ACVR2A (0.70) ACVR2ATGFBR2NAMPTL3MBTL1SMN1; SMN2
SCHEMBL413843 0.90 ACVR2A (0.78) ACVR2ATGFBR2NAMPTMEN1KMT2A
SCHEMBL413784 0.90 ACVR2A (0.75) ACVR2ATGFBR2NAMPTKMT2AMAPK1
SCHEMBL411765 0.88 ACVR2A (0.67) ACVR2ATGFBR2NAMPTL3MBTL1MEN1
SCHEMBL413602 0.87 ACVR2A (0.66) ACVR2ATGFBR2NAMPTL3MBTL1MAPK1
SCHEMBL413623 0.87 ACVR2A (0.66) ACVR2ATGFBR2NAMPTL3MBTL1MEN1
SCHEMBL415263 0.85 ACVR2A (0.63) ACVR2ATGFBR2NAMPTSMN1; SMN2MEN1
SCHEMBL414317 0.85 ACVR2A (0.62) ACVR2ATGFBR2NAMPTSGMS2MEN1
SCHEMBL410503 0.84 ACVR2A (0.68) ACVR2ATGFBR2NAMPTSMN1; SMN2MEN1

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 9 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
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO 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.