SCHEMBL3484255

SCHEMBL3484255

CN1C(=O)c2c(Oc3ccc(N)cc3Cl)cccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.36
PTK2 Q05397 6/20 0.36
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
ESRRA P11474 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
PNLIP P16233 1/20 0.30
HPGD P15428 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL3484779 0.84 KMT2A (0.50) PDE7ACYP3A4MEN1KMT2AALDH1A1
SCHEMBL3484789 0.80 PDE7A (0.34) PDE7ACYP3A4MEN1KMT2AALDH1A1
SCHEMBL3484686 0.76 PDE7A (0.44) PDE7ACYP3A4NFKB1PMP22MEN1
SCHEMBL3484991 0.75 PARP1 (0.44) PTK2HTR2A
SCHEMBL1356273 0.73 CA1 (0.41) PTK2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL3484574 0.72 CYP3A4 (0.35) PDE7ACYP3A4NFKB1PMP22MEN1
SCHEMBL27768793 0.71 PDE7A (0.34) PDE7AHTR2ASLC6A4
SCHEMBL2034057 0.70 DPP4 (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3484137 0.70 MRGPRX4 (0.42) PDE7ACYP3A4NFKB1PMP22ALDH1A1
SCHEMBL1964539 0.69 CYP3A4 (0.56) PDE7ACYP3A4MEN1KMT2AALDH1A1

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 4340/4885PTK2 329/4885CYP3A4 1114/4885

“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.