SCHEMBL3484045

SCHEMBL3484045

CN1Cc2cc(Oc3ccc(N)cc3Cl)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAPK14 Q16539 1/20 0.38
AOC3 Q16853 2/20 0.37
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35
PNLIP P16233 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
LRRK2 Q5S007 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
PRF1 P14222 4/20 0.34
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL3485002 0.90 PDE7A (0.40) PDE7AHTR2ASLC6A4MAPK14KDM4E
SCHEMBL3484327 0.81 PDE7A (0.53) PDE7AKDM4EMAPTPRF1
SCHEMBL2144936 0.78 CASP1 (0.47) KDM4EMAPTPRF1MKNK1
SCHEMBL29552307 0.78 CASP1 (0.47) KDM4EMAPTPRF1MKNK1
SCHEMBL3484137 0.76 MRGPRX4 (0.42) PDE7AKDM4EMAPTRAD52CYP3A4
SCHEMBL3484991 0.76 PARP1 (0.44) HTR2A
SCHEMBL27046003 0.76 AOC3 (0.49) ITGB3ITGAVAOC3
SCHEMBL3485033 0.75 EGFR (0.49) PDE7AHTR2ASLC6A4MAPK14PNLIP
SCHEMBL3484686 0.75 PDE7A (0.44) PDE7AHTR2ASLC6A4MAPK14BRD4
SCHEMBL27768765 0.74 SLC6A4 (0.38) PDE7AHTR2ASLC6A4MAPK14KDM4E

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 PDE7A 4340/4885ITGB3 3162/4885ITGAV 4289/4885

“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.