SCHEMBL408097

SCHEMBL408097

NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCc1cc(F)ccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.70
TGFBR2 P37173 1/20 0.70
NAMPT P43490 12/20 0.45
LMNA P02545 1/20 0.44
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
STK10 O94804 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
ROS1 P08922 1/20 0.43

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
SCHEMBL411189 0.86 ACVR2A (0.79) ACVR2ATGFBR2NAMPTL3MBTL1
SCHEMBL447681 0.85 ACVR2A (0.78) ACVR2ATGFBR2NAMPTL3MBTL1
SCHEMBL411467 0.85 ACVR2A (0.65) ACVR2ATGFBR2NAMPTLMNAPLK4
SCHEMBL414317 0.85 ACVR2A (0.62) ACVR2ATGFBR2NAMPTPLK4AURKA
SCHEMBL413519 0.85 ACVR2A (0.70) ACVR2ATGFBR2NAMPTLMNA
SCHEMBL414446 0.84 ACVR2A (0.64) ACVR2ATGFBR2NAMPTLMNAPLK4
SCHEMBL414392 0.84 ACVR2A (0.76) ACVR2ATGFBR2NAMPTL3MBTL1
SCHEMBL6178512 0.83 ACVR2A (0.65) ACVR2ATGFBR2NAMPT
SCHEMBL21932072 0.83 ACVR2A (0.80) ACVR2ATGFBR2NAMPTL3MBTL1
SCHEMBL415573 0.83 ACVR2A (0.72) ACVR2ATGFBR2NAMPTHDAC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.