SCHEMBL3484789

SCHEMBL3484789

CC1(C)NC(=O)c2c(Oc3ccc(N)cc3Cl)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.34
RHEB Q15382 1/20 0.32
HPGD P15428 3/20 0.32
ESRRA P11474 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
CYP3A4 P08684 2/20 0.31
EZH2 Q15910 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR6 P50406 1/20 0.30
AR P10275 1/20 0.30
SLK Q9H2G2 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
SCHEMBL3484977 0.82 KMT2A (0.50) PDE7AHPGDCYP3A4MEN1KMT2A
SCHEMBL3484255 0.80 PDE7A (0.36) PDE7AHPGDESRRAHTTCYP3A4
SCHEMBL3484516 0.76 PDE7A (0.42) PDE7AHPGDATMMEN1KMT2A
SCHEMBL3484010 0.72 EGFR (0.49) PDE7ARHEBHPGDMEN1KMT2A
SCHEMBL1355925 0.72 ALDH1A1 (0.47) HPGDHTTCYP3A4MEN1KMT2A
SCHEMBL27768793 0.72 PDE7A (0.34) PDE7ARHEBEZH2AR
SCHEMBL1964539 0.70 CYP3A4 (0.56) PDE7AHPGDHTTCYP3A4MEN1
SCHEMBL3485042 0.69 CASP1 (0.40) PDE7AHPGDCASP1HSD17B10
SCHEMBL1612463 0.69 THRB (0.37) CYP3A4MEN1KMT2AALDH1A1THRB
SCHEMBL632218 0.69 CYP3A4 (0.46) PDE7ARHEBHPGDHTTCYP3A4

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 4340/4885RHEB 1785/4885HPGD 2243/4885

“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.