SCHEMBL3966006

SCHEMBL3966006

Fc1ccc(Oc2ccc3c(-c4cc(N5CCOCC5)ccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK14 Q16539 2/20 0.40
PRKDC P78527 10/20 0.39
SOS1 Q07889 1/20 0.37
MET P08581 1/20 0.37
KCNH2 Q12809 2/20 0.36
FGFR1 P11362 1/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL4017462 0.81 MAPK14 (0.40) MAPK14
SCHEMBL4017606 0.79 MAPK14 (0.48) MAPK14
SCHEMBL5100907 0.77 MAPK14 (0.56) KDM4EALDH1A1NPSR1MAPK14
SCHEMBL4018174 0.76 MAPK14 (0.37) MAPK14
SCHEMBL3249333 0.75 MAPK14 (0.55) ALDH1A1MAPK14PRKDCFGFR1
SCHEMBL5100212 0.74 MAPK14 (0.60) KDM4EALDH1A1NPSR1MAPK14
SCHEMBL4013145 0.73 MAPK14 (0.46) MAPK14
SCHEMBL13764813 0.73 MAPK14 (0.46) MAPK14
SCHEMBL5097448 0.71 MAPK14 (0.56) KDM4EALDH1A1NPSR1MAPK14MET
SCHEMBL3972688 0.71 MAPK14 (0.43) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563799-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-21 US disclosed
US-7563799-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-21 US disclosed
US-7563799-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-21 US disclosed
US-20070049598-A1 p38 Map kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049598-A1 p38 Map kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049598-A1 p38 Map kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 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 (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-20070049598-A1 p38 Map kinase inhibitors and methods for using the same MAPK1, MAPK3, MAP3K1 KDM4E 3311/4885ALDH1A1 2948/4885NPSR1 2947/4885

“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.