SCHEMBL437303

SCHEMBL437303

O=C(Cc1ccc(F)cc1)Nc1cc(-c2ccnc(F)c2)cs1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.67
PRKACA P17612 7/20 0.67
CYP3A4 P08684 5/20 0.67
ROCK2 O75116 2/20 0.67
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
WNT3A P56704 4/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
DYRK1A Q13627 1/20 0.48
HASPIN Q8TF76 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
RORC P51449 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL439293 0.91 ROCK1 (0.74) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL437311 0.85 ROCK1 (0.58) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL436463 0.84 ROCK1 (0.74) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL12123095 0.83 ROCK1 (0.76) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL439254 0.81 ROCK1 (1.00) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL3251472 0.81 PRKACA (0.66) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL439533 0.79 KMT2A (0.78) ROCK1PRKACACYP3A4WNT3AKMT2A
SCHEMBL437355 0.78 ROCK1 (0.71) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL439574 0.78 ROCK1 (1.00) ROCK1PRKACACYP3A4ROCK2CYP2D6
SCHEMBL13213619 0.77 ROCK1 (0.69) ROCK1PRKACACYP3A4ROCK2CYP2D6

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 ROCK1 1/4885PRKACA 99/4885CYP3A4 4395/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ROCK1 4/4885PRKACA 61/4885CYP3A4 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.