SCHEMBL3484631

SCHEMBL3484631

CC1(C)N=Cc2ccc(Oc3ccc(N)cc3Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
PNLIP P16233 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
EPX P11678 1/20 0.34
LPO P22079 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3485062 0.80 PDE7A (0.56) PDE7AMEN1KMT2ANPC1KDM4E
SCHEMBL7184491 0.74 PDE7A (0.53) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL4318630 0.73 PDE7A (0.63) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL11460671 0.72 HTR2A (0.63) PDE7AHTR2ASLC6A4PNLIPMPO
SCHEMBL3484191 0.71 PDE7A (0.42) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL3484516 0.71 PDE7A (0.42) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL5583563 0.70 TEAD4 (0.57) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL1147436 0.70 PDE7A (0.53) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL3484686 0.70 PDE7A (0.44) PDE7AHTR2ASLC6A4MEN1KMT2A
SCHEMBL554722 0.70 MAOA (0.61) PDE7AHTR2ASLC6A4MEN1KMT2A

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.