SCHEMBL13769733

SCHEMBL13769733

Fc1ccc(Oc2nc(CN3CCOCC3)c3c(-c4ccccc4Cl)n[nH]c3n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC2A1 P11166 1/20 0.37
CYP2A13 Q16696 1/20 0.35
BRD4 O60885 3/20 0.35
MAPT P10636 1/20 0.35
GRIN2B Q13224 1/20 0.34
MAPK1 P28482 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4019409 0.87 MAPK14 (0.38) MAPK14ALDH1A1KDM4ENPSR1BRD4
SCHEMBL4832587 0.86 CYP1A2 (0.44) MAPK14ALDH1A1KDM4EMAPTMAPK1
SCHEMBL4844936 0.86 MAPK14 (0.41) MAPK14ALDH1A1KDM4EBRD4
SCHEMBL4837598 0.86 ALDH1A1 (0.42) MAPK14ALDH1A1KDM4ENPSR1
SCHEMBL4837424 0.85 EGFR (0.41) MAPK14KDM4EBRD4
SCHEMBL4841046 0.84 SMN1; SMN2 (0.42) MAPK14ALDH1A1NPSR1MAPTMAPK1
SCHEMBL4841631 0.83 MAPK14 (0.39) MAPK14
SCHEMBL4842380 0.81 MAPK14 (0.39) MAPK14ALDH1A1KDM4EBRD4
SCHEMBL4021743 0.80 BRD4 (0.40) MAPK14ALDH1A1KDM4ENPSR1SLC2A1
SCHEMBL4840538 0.80 KMT2A (0.38) MAPK14KDM4EBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 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 (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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885ALDH1A1 3313/4885KDM4E 4518/4885

“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.