SCHEMBL3484516

SCHEMBL3484516

CC1(C)NC(=O)c2ccc(Oc3ccc(N)cc3Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PNLIP P16233 1/20 0.35
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
CHEK1 O14757 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
TGM2 P21980 1/20 0.32
RET P07949 2/20 0.32
FFAR1 O14842 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
SCHEMBL3484209 0.82 PDE7A (0.54) PDE7AMEN1NPC1KMT2AHPGD
SCHEMBL3484686 0.80 PDE7A (0.44) PDE7AATMHTR2ASLC6A4PNLIP
SCHEMBL24692819 0.78 MKNK1 (0.46) ATMMKNK1MKNK2MEN1NPC1
Hydrochloric Acid SCHEMBL31607096 0.77 MKNK1 (0.45) ATMMKNK1MKNK2MEN1NPC1
SCHEMBL3484789 0.76 PDE7A (0.34) PDE7AATMMEN1KMT2AHPGD
SCHEMBL3484193 0.72 EGFR (0.49) PDE7AATMHTR2ASLC6A4PNLIP
SCHEMBL3485033 0.72 EGFR (0.49) PDE7AATMHTR2ASLC6A4MKNK1
SCHEMBL1951724 0.72 ALDH1A1 (0.47) PDE7AMKNK1MKNK2MEN1KMT2A
SCHEMBL3485032 0.71 PDE7A (0.42) PDE7AATMHTR2ASLC6A4PNLIP
SCHEMBL3484631 0.71 PDE7A (0.42) PDE7AHTR2ASLC6A4PNLIPMEN1

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 4340/4885ATM 599/4885HTR2A 1970/4885

“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.