SCHEMBL7124623

SCHEMBL7124623

O=CC(c1ccc(F)cc1)c1ccnc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
MAPK14 Q16539 3/20 0.34
FFAR2 O15552 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
GRM5 P41594 4/20 0.32
KCNH2 Q12809 1/20 0.32
SMARCA2 P51531 1/20 0.32
RECQL P46063 1/20 0.32
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL6189088 0.84 PTGDR2 (0.36) PTGDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8133903 0.81 HDAC1 (0.31) KDM5AKDM4CKDM5B
SCHEMBL7394777 0.81 PTGDR2 (0.38) PTGDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL2789136 0.78 LTA4H (0.42) PTGDR2MAPK14MEN1KMT2A
SCHEMBL8137597 0.78 KCNQ3 (0.42) FFAR2
SCHEMBL3540663 0.77 IDO1 (0.41)
SCHEMBL10627239 0.76 NR3C1 (0.42) PTGDR2MAPK14FFAR2MAPK13MAPK12
SCHEMBL6189080 0.74 KMO (0.36) LOXL2
SCHEMBL1555509 0.74 TRPV1 (0.34) PTGDR2GRM5MEN1KMT2A
SCHEMBL21805990 0.73 RECQL (0.37) FFAR2KCNH2SMARCA2RECQLLOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 PTGDR2 1078/4885MAPK14 31/4885FFAR2 2405/4885

“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.