SCHEMBL3484010

SCHEMBL3484010

Nc1ccc(Oc2cccc3c2C(=O)NC3)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49
AURKA O14965 6/20 0.42
KDR P35968 6/20 0.38
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CDK1 P06493 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PDE7A Q13946 1/20 0.33
RHEB Q15382 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PARP1 P09874 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
SCHEMBL3485185 0.81 KMT2A (0.54) EGFRERBB2PDE7AHPGDLMNA
SCHEMBL3484543 0.80 EGFR (0.49) EGFRERBB2AURKAKDRCDK1
SCHEMBL3485042 0.79 CASP1 (0.40) PDE7AHPGDLMNAMAPT
SCHEMBL3484991 0.75 PARP1 (0.44) HTR2APARP1
SCHEMBL3485033 0.74 EGFR (0.49) EGFRERBB2KDRCA12CA9
SCHEMBL3484193 0.74 EGFR (0.49) EGFRERBB2KDRCA12CA9
SCHEMBL3484676 0.74 AHR (0.56) EGFRERBB2
SCHEMBL3484789 0.72 PDE7A (0.34) PDE7ARHEBHPGDMEN1KMT2A
SCHEMBL1964539 0.72 CYP3A4 (0.56) PDE7AHTR2ASLC6A4HPGDLMNA
SCHEMBL27768766 0.71 PDE7A (0.33) PDE7ARHEBHTR2ASLC6A4

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 EGFR 13/4885ERBB2 1/4885AURKA 181/4885

“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.