SCHEMBL14520705

SCHEMBL14520705

Cc1cc(NCc2ccc(C(F)(F)F)cc2)nc2nc(N)nc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.52
DHFR P00374 5/20 0.46
CRHR1 P34998 1/20 0.46
APP P05067 2/20 0.46
PTGS2 P35354 1/20 0.43
TLR7 Q9NYK1 1/20 0.41
MPO P05164 1/20 0.41
EPHX2 P34913 1/20 0.40
GHSR Q92847 1/20 0.40

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
SCHEMBL14520704 0.89 DHFR (0.43) HRH4DHFRCRHR1APP
SCHEMBL14520703 0.87 MEN1 (0.49) HRH4DHFRAPPPTGS2GHSR
SCHEMBL5427836 0.85 DHFR (0.42) HRH4DHFRAPPPTGS2
SCHEMBL14520710 0.84 DHFR (0.55) DHFR
SCHEMBL14520713 0.84 DHFR (0.57) DHFR
SCHEMBL14520706 0.84 DHFR (0.41) HRH4DHFR
SCHEMBL14520708 0.84 IDO1 (0.41) HRH4DHFR
SCHEMBL14520707 0.78 DHFR (0.48) DHFR
SCHEMBL14520709 0.77 CD38 (0.44) DHFR
SCHEMBL14520712 0.76 KCNH2 (0.47)

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-20070082920-A1 NAD+-dependent DNA ligase inhibitors Ricerca Biosciences, LLC 2007-04-12 US disclosed
US-20070082920-A1 NAD+-dependent DNA ligase inhibitors Ricerca Biosciences, LLC 2007-04-12 US 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-20070082920-A1 NAD+-dependent DNA ligase inhibitors LIG3, LIG1, NQO1 HRH4 1168/4885DHFR 171/4885CRHR1 4095/4885

“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.