SCHEMBL412041

SCHEMBL412041

NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.62
TGFBR2 P37173 1/20 0.62
KDR P35968 9/20 0.53
PDGFRB P09619 6/20 0.51
FLT1 P17948 6/20 0.51
AURKA O14965 2/20 0.49
PLK4 O00444 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
INSR P06213 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49

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
SCHEMBL412442 0.96 ACVR2A (0.59) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL3085035 0.85 KDR (0.55) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL413792 0.85 ACVR2A (0.70) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL410503 0.83 ACVR2A (0.68) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL3091569 0.82 KDR (0.54) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL3084327 0.82 KDR (0.68) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL3087500 0.82 KDR (0.61) KDRPDGFRBFLT1AURKAPLK4
SCHEMBL412495 0.82 ACVR2A (0.58) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL413844 0.82 ACVR2A (0.60) ACVR2ATGFBR2KDRPDGFRBFLT1
SCHEMBL411189 0.81 ACVR2A (0.79) ACVR2ATGFBR2NAMPTSMN1; SMN2

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 4/4885KDR 538/4885

“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.