SCHEMBL439504

SCHEMBL439504

Nc1cc(-c2csc(NC(=O)Cc3ccc(F)cc3F)n2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.64
KMT2A Q03164 9/20 0.60
MEN1 O00255 8/20 0.60
RAB9A P51151 3/20 0.60
PRKACA P17612 4/20 0.58
ROCK1 Q13464 4/20 0.58
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
WNT3A P56704 3/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL438743 0.90 ELOVL1 (0.79) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL439248 0.89 ELOVL1 (0.81) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL436415 0.88 WNT3A (0.69) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL438731 0.88 ELOVL1 (0.64) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL436421 0.86 KMT2A (0.73) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL437332 0.86 ELOVL1 (0.62) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL439214 0.84 ELOVL1 (0.60) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL439513 0.82 ELOVL1 (0.62) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL439244 0.80 ELOVL1 (0.62) ELOVL1KMT2AMEN1RAB9APRKACA
SCHEMBL27745492 0.80 MEN1 (0.71) ELOVL1KMT2AMEN1RAB9APRKACA

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
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
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 2798/4885KMT2A 2380/4885MEN1 1248/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ELOVL1 3141/4885KMT2A 1317/4885MEN1 275/4885

“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.