SCHEMBL3973397

SCHEMBL3973397

O=C(O)c1ccc(-c2ncnc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.55
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
FAAH O00519 1/20 0.52
EPHX2 P34913 1/20 0.52
AURKA O14965 2/20 0.51
PLK1 P53350 1/20 0.48
DHODH Q02127 1/20 0.48

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
SCHEMBL3981035 0.85 CHRNA7 (0.55) CHRNA7ABL1BCR
SCHEMBL3970683 0.84 ABL1 (0.59) CHRNA7ABL1BCRFAAHEPHX2
SCHEMBL28758871 0.81 EPHX2 (0.47) CHRNA7ABL1BCRFAAHEPHX2
SCHEMBL3977569 0.81 CCNT1 (0.60) CHRNA7ABL1BCRAURKA
SCHEMBL30568377 0.80 SCN9A (0.61) CHRNA7ABL1BCRPLK1
SCHEMBL5473190 0.80 EPHX2 (0.70) ABL1BCRFAAHEPHX2AURKA
SCHEMBL3904982 0.79 ABL1 (0.82) ABL1BCR
SCHEMBL20188245 0.79 GSK3A (0.47)
SCHEMBL30530318 0.79 GSK3A (0.47)
SCHEMBL3397117 0.77 DHODH (0.50) ABL1BCRFAAHEPHX2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613595-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-01 EP disclosed
EP-1613595-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-11 EP disclosed
US-20050014753-A1 Novel compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-01-20 US disclosed
WO-2004089286-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-10-21 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-20050014753-A1 Novel compounds and compositions as protein kinase inhibitors ABL1, BCR, PDGFRA CHRNA7 4215/4885ABL1 1/4885BCR 2/4885

“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.