SCHEMBL14520707

SCHEMBL14520707

Cc1cc(NCc2ccc(F)cc2C(F)(F)F)nc2nc(N)nc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 14/20 0.48
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDO1 P14902 2/20 0.40
ADORA2A P29274 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL14520709 0.84 CD38 (0.44) DHFRADORA2AADORA3ADORA1P2RX7
SCHEMBL14520710 0.83 DHFR (0.55) DHFRIDO1
SCHEMBL14520706 0.81 DHFR (0.41) DHFRADORA2AADORA3ADORA1P2RX7
SCHEMBL14520713 0.81 DHFR (0.57) DHFRIDO1
SCHEMBL14520703 0.81 MEN1 (0.49) DHFRADORA3
SCHEMBL14520708 0.78 IDO1 (0.41) DHFRIDO1ADORA2AADORA3ADORA1
SCHEMBL14520705 0.78 HRH4 (0.52) DHFR
SCHEMBL5427836 0.77 DHFR (0.42) DHFR
SCHEMBL14520704 0.77 DHFR (0.43) DHFRADORA2AADORA3ADORA1
SCHEMBL14520712 0.69 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 DHFR 171/4885HDAC3 301/4885HDAC1 487/4885

“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.