SCHEMBL408943

SCHEMBL408943

NC(=O)c1c(OCc2cccnc2)nsc1NC(=O)NCCc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.65
TGFBR2 P37173 1/20 0.65
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 1/20 0.45
POLB P06746 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

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
SCHEMBL412926 0.91 ACVR2A (0.64) ACVR2ATGFBR2MEN1KMT2ANPC1
SCHEMBL411467 0.90 ACVR2A (0.65) ACVR2ATGFBR2SMN1; SMN2CNR1PLK4
SCHEMBL410503 0.89 ACVR2A (0.68) ACVR2ATGFBR2MEN1KMT2ANPC1
SCHEMBL413843 0.88 ACVR2A (0.78) ACVR2ATGFBR2MEN1KMT2ACNR1
SCHEMBL447681 0.87 ACVR2A (0.78) ACVR2ATGFBR2MEN1KMT2ANPC1
SCHEMBL413609 0.87 ACVR2A (0.70) ACVR2ATGFBR2MEN1KMT2ASMN1; SMN2
SCHEMBL408144 0.86 ACVR2A (0.62) ACVR2ATGFBR2SMN1; SMN2CNR1PLK4
SCHEMBL412507 0.86 ACVR2A (0.64) ACVR2ATGFBR2MEN1KMT2ANPC1
SCHEMBL414446 0.86 ACVR2A (0.64) ACVR2ATGFBR2GAACNR1PLK4
SCHEMBL413792 0.86 ACVR2A (0.70) ACVR2ATGFBR2MEN1KMT2ASMN1; 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 10 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-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 4/4885MEN1 3374/4885

“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.