SCHEMBL12139599

SCHEMBL12139599

O=c1ncn2nc(Sc3ccc(F)cc3Cl)ccc2c1-c1c(Cl)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
MAPK13 O15264 17/20 1.00
MAPK12 P53778 17/20 1.00
MAPK11 Q15759 17/20 1.00
ABL1 P00519 1/20 0.86
LCK P06239 1/20 0.86
FYN P06241 1/20 0.86
CSF1R P07333 1/20 0.86
YES1 P07947 1/20 0.86
LYN P07948 1/20 0.86
HCK P08631 1/20 0.86
ADRA2A P08913 1/20 0.86
ROS1 P08922 1/20 0.86
PDGFRB P09619 1/20 0.86
FGR P09769 1/20 0.86
ADORA3 P0DMS8 1/20 0.86
SRC P12931 1/20 0.86
PDGFRA P16234 1/20 0.86
ADRA2B P18089 1/20 0.86
EPHA1 P21709 1/20 0.86

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
Neflamapimod SCHEMBL156367 0.93 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ABL1
Neflamapimod SCHEMBL29396525 0.93 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL12139590 0.91 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL20885633 0.91 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL12139595 0.87 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL19892655 0.86 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL12139569 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL12139555 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL5635285 0.85 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11ABL1
SCHEMBL12139614 0.85 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11ABL1

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 12 patents. 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-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-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
US-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
US-7365072-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
US-7365072-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-29 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 US disclosed
US-7205305-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-17 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-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 MAPK14 46/4885MAPK13 53/4885MAPK12 24/4885
US-20090203702-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 MAPK14 46/4885MAPK13 53/4885MAPK12 24/4885

“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.