SCHEMBL14520706

SCHEMBL14520706

Cc1cc(NCc2ccc(C(F)(F)F)c(F)c2)nc2nc(N)nc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
P2RX7 Q99572 1/20 0.39
HRH4 Q9H3N8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL14520708 0.86 IDO1 (0.41) DHFRADORA3ADORA2AADORA1P2RX7
SCHEMBL14520705 0.84 HRH4 (0.52) DHFRHRH4
SCHEMBL14520703 0.83 MEN1 (0.49) DHFRADORA3HRH4SMN1; SMN2MEN1
SCHEMBL14520704 0.81 DHFR (0.43) DHFRADORA3ADORA2AADORA1HRH4
SCHEMBL14520707 0.81 DHFR (0.48) DHFRADORA3ADORA2AADORA1P2RX7
SCHEMBL14520709 0.80 CD38 (0.44) DHFRADORA3ADORA2AADORA1P2RX7
SCHEMBL5427836 0.80 DHFR (0.42) DHFRHRH4SMN1; SMN2HRH3
SCHEMBL14520710 0.79 DHFR (0.55) DHFR
SCHEMBL14520713 0.79 DHFR (0.57) DHFR
SCHEMBL14520712 0.75 KCNH2 (0.47) SMN1; SMN2MEN1KMT2AKDM4EHTT

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 171/4885ADORA3 493/4885ADORA2A 968/4885

“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.