SCHEMBL3484686

SCHEMBL3484686

CN1C(=O)c2ccc(Oc3ccc(N)cc3Cl)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.44
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
PNLIP P16233 1/20 0.36
BRD4 O60885 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
NPC1 O15118 2/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK14 Q16539 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3484743 0.84 PDE7A (0.54) PDE7AKMT2AMEN1KDM4EATM
SCHEMBL3484516 0.80 PDE7A (0.42) PDE7AHTR2ASLC6A4PNLIPKMT2A
SCHEMBL1950399 0.79 RAB9A (0.40) KMT2AMEN1NPC1CYP3A4ALDH1A1
SCHEMBL3484255 0.76 PDE7A (0.36) PDE7AHTR2ASLC6A4PNLIPKMT2A
SCHEMBL3484045 0.75 PDE7A (0.40) PDE7AHTR2ASLC6A4PNLIPBRD4
SCHEMBL3485002 0.75 PDE7A (0.40) PDE7AHTR2ASLC6A4KDM4EMAPK14
SCHEMBL1952734 0.73 CA1 (0.44) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL3484631 0.70 PDE7A (0.42) PDE7AHTR2ASLC6A4PNLIPKMT2A
SCHEMBL7184491 0.70 PDE7A (0.53) PDE7AHTR2ASLC6A4PNLIPKMT2A
SCHEMBL4318630 0.69 PDE7A (0.63) PDE7AHTR2ASLC6A4PNLIPKMT2A

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.