SCHEMBL3484778

SCHEMBL3484778

Nc1ccc(Oc2cccc3c2C2(CC2)C(=O)N3)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.38
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PDE7A Q13946 2/20 0.33
RHEB Q15382 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTR6 P50406 4/20 0.32
HTR1A P08908 3/20 0.32
HTR2A P28223 3/20 0.32
HTR7 P34969 3/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TGM2 P21980 1/20 0.31
IP6K1 Q92551 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
SCHEMBL3484815 0.77 EGFR (0.49) HPGDEGFRERBB2
SCHEMBL29622012 0.74 PGR (0.38) PGRIP6K1
SCHEMBL3484217 0.74 KMT2A (0.46) PGRPDE7ALMNAMAPTHTR7
SCHEMBL29622001 0.72 PGR (0.36) PGRPDE7AHTR6IP6K1
SCHEMBL29621882 0.72 IP6K1 (0.40) PGRIP6K1
SCHEMBL3484676 0.72 AHR (0.56) PGREGFRERBB2
SCHEMBL1964539 0.72 CYP3A4 (0.56) PGRPDE7AHPGDLMNAMAPT
SCHEMBL632218 0.70 CYP3A4 (0.46) PDE7ARHEBHPGDLMNAEGFR
SCHEMBL17556137 0.70 TNKS (0.49) PGRTNKSTNKS2PDE7AHTR6
SCHEMBL29622070 0.70 TNKS (0.49) PGRTNKSTNKS2PDE7AHTR6

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 PGR 502/4885TNKS 2613/4885TNKS2 2248/4885

“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.