SCHEMBL437370

SCHEMBL437370

COc1cccc(CC(=O)NC(N)=S)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.57
CTSD P07339 2/20 0.55
POLB P06746 1/20 0.54
USP2 O75604 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
GLS O94925 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
CTBP2 P56545 1/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CCNA1 P78396 1/20 0.50

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
SCHEMBL17993501 0.82 HTT (0.65) MAPK8CRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL968090 0.82 POLB (0.59) MAPK8POLBUSP2GLSALDH1A1
SCHEMBL11022943 0.80 HDAC1 (0.65) MAPK8POLBUSP2ALDH1A1SMN1; SMN2
SCHEMBL10154070 0.80 POLB (0.60) MAPK8POLBUSP2GLSALDH1A1
SCHEMBL14987575 0.80 GLS (0.58) MAPK8CTSDPOLBUSP2GLS
SCHEMBL1326762 0.80 CTBP2 (0.60) MAPK8POLBALDH1A1SMN1; SMN2HTT
SCHEMBL6896038 0.80 TAAR1 (0.56) MAPK8CTBP2
SCHEMBL17993526 0.79 KMT2A (0.64) CTSDPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL6496853 0.79 POLB (0.59) MAPK8POLBUSP2GLSALDH1A1
Hydrochloric Acid SCHEMBL13727108 0.79 CTBP2 (0.59) MAPK8POLBALDH1A1SMN1; SMN2HTT

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 17 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-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-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
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
EP-2032562-B1 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMA (US) 2010-08-25 EP disclosed
EP-2032562-A2 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2009-03-11 EP disclosed
WO-2007133622-A2 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-22 WO 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
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 MAPK8 140/4885CTSD 2247/4885POLB 4217/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK MAPK8 302/4885CTSD 2584/4885POLB 4314/4885

“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.