SCHEMBL3485002

SCHEMBL3485002

CN1Cc2ccc(Oc3ccc(N)cc3Cl)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.40
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAPK14 Q16539 1/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL3484045 0.90 PDE7A (0.40) PDE7AHTR2ASLC6A4KDM4EEGFR
SCHEMBL3484533 0.81 PDE7A (0.53) PDE7AKDM4EALDH1A1HPGDMAPT
SCHEMBL5307734 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDDDB1CRBN
SCHEMBL3484193 0.78 EGFR (0.49) PDE7AHTR2ASLC6A4EGFRERBB2
SCHEMBL3485235 0.77 CASP1 (0.46) PDE7AHTR2ASLC6A4MAPK14
SCHEMBL3484991 0.76 PARP1 (0.44) HTR2A
SCHEMBL3484137 0.76 MRGPRX4 (0.42) PDE7AKDM4EALDH1A1HPGDEGFR
SCHEMBL3484686 0.75 PDE7A (0.44) PDE7AHTR2ASLC6A4KDM4EALDH1A1
SCHEMBL27768773 0.74 HTR2A (0.38) PDE7AHTR2ASLC6A4KDM4EMAPK14
SCHEMBL3485033 0.72 EGFR (0.49) PDE7AHTR2ASLC6A4EGFRERBB2

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 4340/4885HTR2A 1970/4885SLC6A4 4245/4885

“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.