SCHEMBL577890

SCHEMBL577890

CC(Oc1cc(-n2ccnc2)sc1C(N)=O)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.64
PLK3 Q9H4B4 11/20 0.64
CDK2 P24941 1/20 0.64
IKBKE Q14164 1/20 0.64
CYP2C9 P11712 2/20 0.61
CYP3A4 P08684 4/20 0.54
PIK3CD O00329 1/20 0.52
NUAK1 O60285 1/20 0.52
PDGFRB P09619 1/20 0.52
PIM1 P11309 1/20 0.52
KDR P35968 1/20 0.52
NEK2 P51955 1/20 0.52

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
SCHEMBL577520 0.90 PLK1 (0.54) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3741898 0.79 PLK1 (0.79) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3731577 0.79 PLK1 (0.79) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3737784 0.79 PLK1 (0.79) PLK1PLK3CDK2IKBKECYP2C9
Gsk-237701A SCHEMBL29644977 0.78 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP2C9
Gsk-237701A SCHEMBL4034890 0.78 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP2C9
Gsk-237701A SCHEMBL5065885 0.78 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL4345776 0.78 PLK1 (0.63) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL1370904 0.77 PLK1 (0.82) PLK1
SCHEMBL13573204 0.77 PLK1 (1.00) PLK1PLK3CDK2IKBKECYP2C9

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
EP-2007757-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-10-03 EP disclosed
EP-2007757-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-10-03 EP disclosed
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
EP-2418210-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmceuticals Incorporated (US) 2012-02-15 EP disclosed
EP-2418210-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmceuticals Incorporated (US) 2012-02-15 EP disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 US disclosed
WO-2007120760-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO 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-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 PLK1 119/4885PLK3 469/4885CDK2 34/4885
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 PLK1 119/4885PLK3 469/4885CDK2 34/4885

“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.