SCHEMBL409761

SCHEMBL409761

CNC(=O)Nc1snc(OC(C)c2cccnc2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.47
TGFBR2 P37173 1/20 0.47
NTRK1 P04629 12/20 0.46
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RORC P51449 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
FLT3 P36888 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL412981 0.84 ACVR2A (0.53) ACVR2ATGFBR2ALDH1A1NPC1MAPT
SCHEMBL414121 0.83 ACVR2A (0.53) ACVR2ATGFBR2KMT2A
SCHEMBL412983 0.81 ACVR2A (0.40) ACVR2ATGFBR2NTRK1CYP17A1CYP19A1
SCHEMBL412782 0.78 ACVR2A (0.71) ACVR2ATGFBR2NTRK1ALDH1A1FLT3
SCHEMBL3358718 0.77 ACVR2A (0.59) ACVR2ATGFBR2NTRK1ALDH1A1HPGD
SCHEMBL6174538 0.74 ACVR2A (0.44) ACVR2ATGFBR2ALDH1A1RORCMEN1
SCHEMBL3071232 0.69 ACVR2A (0.53) ACVR2ATGFBR2NTRK1ALDH1A1NPC1
SCHEMBL3084796 0.69 NTRK1 (0.47) ACVR2ATGFBR2NTRK1FLT3KMT2A
SCHEMBL410490 0.67 ACVR2A (0.69) ACVR2ATGFBR2ALDH1A1FLT3HPGD
SCHEMBL3078292 0.67 NTRK1 (0.46) ACVR2ATGFBR2NTRK1MAPTFLT3

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 4/4885NTRK1 1683/4885

“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.