SCHEMBL3540988

SCHEMBL3540988

CC1(C)C(=O)NCCN1C(=O)c1oc(C(F)(F)F)cc1NC(=O)Nc1ccc(F)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.45
PARP1 P09874 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CXCR2 P25025 4/20 0.33
TRPV1 Q8NER1 2/20 0.33
RAF1 P04049 2/20 0.33
CNR2 P34972 1/20 0.31
NTRK1 P04629 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
KDR P35968 1/20 0.30
CDK8 P49336 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL3544542 0.93 MAPK14 (0.49) MAPK14PARP1CXCR2TRPV1RAF1
SCHEMBL3540720 0.80 MAPK14 (0.60) MAPK14RAF1
SCHEMBL3543213 0.79 MAPK14 (0.48) MAPK14PARP1CXCR2TRPV1RAF1
SCHEMBL3546978 0.78 MAPK14 (0.70) MAPK14
SCHEMBL3539568 0.77 MAPK14 (0.45) MAPK14PARP1CXCR2TRPV1RAF1
SCHEMBL3542369 0.75 HDAC1 (0.36) PARP1HDAC1HDAC6HDAC5CNR2
SCHEMBL3544141 0.74 MAPK14 (0.51) MAPK14PARP1HDAC1HDAC6HDAC5
SCHEMBL3549551 0.69 MAPK14 (0.67) MAPK14NTRK1RETNTRK2
SCHEMBL3547961 0.69 MAPK14 (0.52) MAPK14RAF1
SCHEMBL13487767 0.69 RAF1 (0.42) MAPK14RAF1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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 (1 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 MAPK14 47/4885PARP1 2946/4885HDAC1 561/4885

“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.