SCHEMBL14520704

SCHEMBL14520704

Cc1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.43
HRH4 Q9H3N8 1/20 0.40
APP P05067 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR1 P34998 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
SCHEMBL5427836 0.93 DHFR (0.42) DHFRHRH4APPSMN1; SMN2
SCHEMBL14520705 0.89 HRH4 (0.52) DHFRHRH4APPCRHR1
SCHEMBL14520706 0.81 DHFR (0.41) DHFRHRH4SMN1; SMN2ADORA3ADORA2A
SCHEMBL14520710 0.81 DHFR (0.55) DHFR
SCHEMBL14520713 0.81 DHFR (0.57) DHFR
SCHEMBL14520703 0.81 MEN1 (0.49) DHFRHRH4APPSMN1; SMN2ADORA3
SCHEMBL14520708 0.80 IDO1 (0.41) DHFRHRH4ADORA3ADORA2AADORA1
SCHEMBL14520707 0.77 DHFR (0.48) DHFRADORA3ADORA2AADORA1
SCHEMBL14520709 0.76 CD38 (0.44) DHFRADORA3ADORA2AADORA1
SCHEMBL14520712 0.73 KCNH2 (0.47) SMN1; SMN2MEN1KMT2A

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 171/4885HRH4 1168/4885APP 4426/4885

“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.