SCHEMBL437332

SCHEMBL437332

CNc1cc(-c2csc(NC(=O)Cc3ccc(F)cc3F)n2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.62
ROCK1 Q13464 5/20 0.60
CYP3A4 P08684 2/20 0.60
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
RAB9A P51151 2/20 0.58
PRKACA P17612 3/20 0.55
WNT3A P56704 3/20 0.54
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL439214 0.90 ELOVL1 (0.60) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL436415 0.88 WNT3A (0.69) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL438743 0.88 ELOVL1 (0.79) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL439513 0.86 ELOVL1 (0.62) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL438731 0.86 ELOVL1 (0.64) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL439504 0.86 ELOVL1 (0.64) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL12124891 0.82 ROCK1 (0.65) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL436414 0.81 ROCK1 (0.64) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL14392969 0.81 ROCK1 (0.64) ELOVL1ROCK1CYP3A4KMT2AMEN1
SCHEMBL13213665 0.80 ROCK1 (0.60) ELOVL1ROCK1CYP3A4KMT2AMEN1

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-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-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
WO-2007133622-A2 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-22 WO 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 ELOVL1 2798/4885ROCK1 1/4885CYP3A4 4395/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ELOVL1 3141/4885ROCK1 4/4885CYP3A4 3859/4885

“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.