SCHEMBL4496079

SCHEMBL4496079

O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCOC(COc2cc(F)ccc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 6/20 0.45
KDR P35968 6/20 0.45
EPHB4 P54760 3/20 0.45
HTR2A P28223 6/20 0.43
HTR2C P28335 6/20 0.43
HTR2B P41595 6/20 0.43
LHCGR P22888 1/20 0.43
RXRB P28702 1/20 0.42
CCR3 P51677 3/20 0.42
PRKAA2 P54646 1/20 0.42
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL4498597 0.86 EPHA2 (0.42) EPHA2KDREPHB4RXRBCCR3
SCHEMBL4505587 0.81 EPHA2 (0.47) EPHA2KDREPHB4CCR3
SCHEMBL4504899 0.78 EPHA2 (0.45) EPHA2KDREPHB4CCR3
SCHEMBL4505511 0.78 DRD4 (0.43) EPHA2KDREPHB4CCR3
Trifluoroacetic Acid SCHEMBL4499863 0.78 SMN1; SMN2 (0.44) EPHA2KDREPHB4CCR3NPC1
SCHEMBL4505525 0.77 EPHA2 (0.45) EPHA2KDREPHB4CCR3
Hydrochloric Acid SCHEMBL4513041 0.77 DRD4 (0.44) EPHA2KDREPHB4CCR3NPC1
SCHEMBL4498562 0.77 EPHA2 (0.44) EPHA2KDREPHB4CCR3
SCHEMBL4516917 0.77 EPHA2 (0.44) EPHA2KDREPHB4
SCHEMBL4511583 0.76 EPHA2 (0.44) EPHA2KDREPHB4CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS EPHA2 4379/4885KDR 618/4885EPHB4 2932/4885

“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.