SCHEMBL438726

SCHEMBL438726

Cc1cc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)ccn1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 11/20 0.90
KMT2A Q03164 4/20 0.73
ROCK1 Q13464 2/20 0.72
PRKACA P17612 1/20 0.72
MEN1 O00255 3/20 0.71
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
CYP3A4 P08684 1/20 0.67
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL1726157 0.95 WNT3A (1.00) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL437267 0.89 WNT3A (0.84) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL13213633 0.89 KMT2A (0.76) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL439533 0.89 KMT2A (0.78) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL1725101 0.89 WNT3A (1.00) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL12303089 0.88 WNT3A (0.87) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL436421 0.87 KMT2A (0.73) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL436404 0.87 KMT2A (0.73) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL436415 0.86 WNT3A (0.69) WNT3AKMT2AROCK1PRKACAMEN1
SCHEMBL437318 0.86 CYP3A4 (0.72) WNT3AKMT2AROCK1PRKACAMEN1

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
US-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
EP-2032562-B1 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMA (US) 2010-08-25 EP disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (2 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-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof ROCK1, ROCK2, MYLK WNT3A 2269/4885KMT2A 2380/4885ROCK1 1/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK WNT3A 2622/4885KMT2A 1317/4885ROCK1 4/4885

“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.