SCHEMBL3484744

SCHEMBL3484744

Nc1ccc(Oc2cnn3ccccc23)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 4/20 0.39
JAK2 O60674 1/20 0.39
RIPK2 O43353 1/20 0.37
LCK P06239 1/20 0.37
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL31554528 0.84 IRAK4 (0.38) EPHB3JAK2DRD4DRD3IRAK4
SCHEMBL3483989 0.82 AXL (0.41) DRD4DRD3DRD2KMT2AMEN1
SCHEMBL1964539 0.73 CYP3A4 (0.56) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL632218 0.72 CYP3A4 (0.46) EGFRERBB2ALDH1A1HTTSMN1; SMN2
SCHEMBL3484441 0.72 EGFR (0.64) EGFRERBB2
SCHEMBL3484005 0.71 EGFR (0.51) EGFRERBB2KMT2AMEN1
SCHEMBL24565708 0.70 JAK2 (0.39) EPHB3JAK2RIPK2LCKDRD4
SCHEMBL9517127 0.70 CYP3A4 (0.52) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL30980412 0.69 EPHB3 (0.53) EPHB3RIPK2LCKDRD4DRD3
SCHEMBL1968020 0.69 AXL (0.48) MAP4K4

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 EPHB3 2772/4885JAK2 12/4885RIPK2 229/4885

“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.