SCHEMBL413623

SCHEMBL413623

CCOc1ccc(CCNC(=O)Nc2snc(OCc3cccnc3)c2C(N)=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.66
TGFBR2 P37173 1/20 0.66
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 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
SCHEMBL411765 0.98 ACVR2A (0.67) ACVR2ATGFBR2MAPK1L3MBTL1POLB
SCHEMBL413609 0.97 ACVR2A (0.70) ACVR2ATGFBR2MAPK1L3MBTL1POLB
SCHEMBL413602 0.91 ACVR2A (0.66) ACVR2ATGFBR2MAPK1L3MBTL1POLB
SCHEMBL408316 0.88 ACVR2A (0.66) ACVR2ATGFBR2MAPK1POLBALDH1A1
SCHEMBL413843 0.87 ACVR2A (0.78) ACVR2ATGFBR2HTTMEN1KMT2A
SCHEMBL413784 0.87 ACVR2A (0.75) ACVR2ATGFBR2MAPK1ALDH1A1HTT
SCHEMBL411736 0.87 ACVR2A (0.72) ACVR2ATGFBR2MAPK1L3MBTL1MEN1
SCHEMBL415263 0.86 ACVR2A (0.63) ACVR2ATGFBR2ALDH1A1HTTMEN1
SCHEMBL410503 0.85 ACVR2A (0.68) ACVR2ATGFBR2MAPK1MEN1KMT2A
SCHEMBL411467 0.84 ACVR2A (0.65) ACVR2ATGFBR2L3MBTL1CNR1NAMPT

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 4/4885MAPK1 388/4885

“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.