SCHEMBL3973004

SCHEMBL3973004

O=C(NCCN1CCOCC1)c1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.85
BCR P11274 16/20 0.85
EPHX2 P34913 1/20 0.65
CD274 Q9NZQ7 1/20 0.53
HPGDS O60760 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL13771175 0.92 ABL1 (1.00) ABL1BCREPHX2KDM4EMAPT
SCHEMBL25824263 0.84 ABL1 (0.82) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL18696254 0.84 ABL1 (0.67) ABL1BCR
SCHEMBL3396861 0.83 ABL1 (0.92) ABL1BCR
SCHEMBL3398663 0.82 ABL1 (0.66) ABL1BCREPHX2CD274HPGDS
SCHEMBL3902519 0.80 ABL1 (0.80) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL6401511 0.80 ABL1 (1.00) ABL1BCREPHX2MAPK1
SCHEMBL17489621 0.79 ABL1 (0.68) ABL1BCR
SCHEMBL3904982 0.77 ABL1 (0.82) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL13771173 0.77 ABL1 (1.00) ABL1BCREPHX2KDM4EMAPT

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 ABL1 1/4885BCR 2/4885EPHX2 3225/4885

“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.