SCHEMBL413784

SCHEMBL413784

COc1ccc(CCNC(=O)Nc2snc(OCc3cccnc3)c2C(N)=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.75
TGFBR2 P37173 1/20 0.75
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
FPR2 P25090 4/20 0.45
NAMPT P43490 2/20 0.43
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 2/20 0.41
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL408316 0.92 ACVR2A (0.66) ACVR2ATGFBR2KMT2ANAMPTGAA
SCHEMBL413843 0.92 ACVR2A (0.78) ACVR2ATGFBR2KMT2ATRPV1NAMPT
SCHEMBL410503 0.91 ACVR2A (0.68) ACVR2ATGFBR2KMT2ATRPV1NAMPT
SCHEMBL413609 0.90 ACVR2A (0.70) ACVR2ATGFBR2KMT2ANAMPTCNR1
SCHEMBL412507 0.90 ACVR2A (0.64) ACVR2ATGFBR2KMT2ATRPV1FPR2
SCHEMBL414446 0.90 ACVR2A (0.64) ACVR2ATGFBR2FPR2NAMPTKCNH2
SCHEMBL412926 0.90 ACVR2A (0.64) ACVR2ATGFBR2KMT2AFPR2NAMPT
SCHEMBL411736 0.90 ACVR2A (0.72) ACVR2ATGFBR2KMT2ANAMPTMAPK1
SCHEMBL411765 0.88 ACVR2A (0.67) ACVR2ATGFBR2KMT2ANAMPTCNR1
SCHEMBL413602 0.87 ACVR2A (0.66) ACVR2ATGFBR2NAMPTCNR1HTT

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-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 4/4885KMT2A 2861/4885

“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.