SCHEMBL12140992

SCHEMBL12140992

COc1ncc(Cl)c(C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
DRD1 P21728 3/20 0.38
RORC P51449 1/20 0.36
CCR4 P51679 6/20 0.35
DAO P14920 1/20 0.35
CYP2C9 P11712 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL15004234 0.84 DAO (0.36) PLAUDRD1RORCCCR4DAO
SCHEMBL22564749 0.83 CCR1 (0.35) DRD1RORCCCR4CYP2C9LMNA
SCHEMBL27973006 0.81 DAO (0.34) PLAURORCCCR4DAOCYP2C9
SCHEMBL23743787 0.79 PIK3CA (0.34) RORCCCR4DAOHTTRECQL
SCHEMBL676712 0.79 DAO (0.33) PLAUDRD1CCR4DAOCYP2C9
SCHEMBL676596 0.79 DAO (0.33) PLAURORCCCR4DAOCYP2C9
SCHEMBL27973179 0.78 LMNA (0.34) PLAURORCCCR4DAOCYP2C9
SCHEMBL17681856 0.77 MAPT (0.37) PLAURORCCCR4CYP2C9LMNA
SCHEMBL29687133 0.77 LMNA (0.33) RORCCCR4CYP2C9LMNATSHR
SCHEMBL29687317 0.77 MAPT (0.37) PLAURORCCCR4CYP2C9LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338412-B2 Inhibitors of P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US disclosed
US-20110160163-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7919513-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
US-7919513-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
US-20090318452-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-24 US disclosed
US-20090318452-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-24 US disclosed
US-7598277-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-7598277-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
EP-1077943-B1 HETEROCYCLIC INHIBITORS OF P38 VERTEX PHARMA (US) 2008-12-17 EP disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7365072-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
US-20070142334-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-06-21 US disclosed
US-20070142334-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-06-21 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US disclosed
US-7169779-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169779-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 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 (5 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-20110160163-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 PLAU 3898/4885DRD1 4542/4885RORC 1515/4885
US-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 PLAU 3168/4885DRD1 4689/4885RORC 1663/4885
US-20090318452-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 PLAU 3898/4885DRD1 4542/4885RORC 1515/4885
US-20070142334-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 PLAU 3898/4885DRD1 4542/4885RORC 1515/4885
US-20070060572-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 PLAU 3168/4885DRD1 4689/4885RORC 1663/4885

“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.