SCHEMBL3483989

SCHEMBL3483989

Nc1ccc(Oc2cccn3nccc23)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 14/20 0.41
MET P08581 9/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.33
MAP4K4 O95819 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
SCHEMBL16863199 0.83 AXL (0.54) AXLMET
SCHEMBL3484744 0.82 EPHB3 (0.39) DRD2DRD4DRD3CYP3A4TSHR
SCHEMBL3484559 0.78 KMT2A (0.56) AXLCYP3A4MEN1KMT2A
SCHEMBL16863242 0.78 AXL (0.45) AXLMETCYP3A4TSHRMEN1
SCHEMBL1968020 0.78 AXL (0.48) AXLMETMAP4K4
SCHEMBL1964539 0.74 CYP3A4 (0.56) CYP3A4TSHRMEN1KMT2A
SCHEMBL3484150 0.74 DRD2 (0.38) DRD2DRD4DRD3CYP3A4TSHR
SCHEMBL3484131 0.74 NUDT1 (0.37) CYP3A4TSHRMEN1KMT2A
SCHEMBL632218 0.73 CYP3A4 (0.46) CYP3A4TSHRAR
SCHEMBL3483796 0.72 PDE7A (0.41) DRD2DRD4DRD3CYP3A4TSHR

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 AXL 131/4885MET 24/4885DRD2 1841/4885

“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.