SCHEMBL415263

SCHEMBL415263

CCOc1ccccc1CCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.63
TGFBR2 P37173 1/20 0.63
NAMPT P43490 4/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDR P35968 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39

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 0.93 ACVR2A (0.70) ACVR2ATGFBR2NAMPTKMT2AMEN1
SCHEMBL408144 0.88 ACVR2A (0.62) ACVR2ATGFBR2NAMPTLMNAKDR
SCHEMBL414317 0.88 ACVR2A (0.62) ACVR2ATGFBR2NAMPTKMT2AMEN1
SCHEMBL410503 0.88 ACVR2A (0.68) ACVR2ATGFBR2NAMPTHTR1ADRD2
SCHEMBL408316 0.88 ACVR2A (0.66) ACVR2ATGFBR2NAMPTKMT2AALDH1A1
SCHEMBL411765 0.86 ACVR2A (0.67) ACVR2ATGFBR2NAMPTKMT2AMEN1
SCHEMBL413623 0.86 ACVR2A (0.66) ACVR2ATGFBR2NAMPTKMT2AMEN1
SCHEMBL411736 0.85 ACVR2A (0.72) ACVR2ATGFBR2NAMPTKMT2AMEN1
SCHEMBL414446 0.85 ACVR2A (0.64) ACVR2ATGFBR2NAMPTLMNAKDR
SCHEMBL413792 0.84 ACVR2A (0.70) ACVR2ATGFBR2KMT2AMEN1ALDH1A1

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 11 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-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
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.