SCHEMBL25801347

SCHEMBL25801347

Cc1ccc2nc3nc(N4C[C@H]5C[C@H]5C4)ccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.40
SMPD3 Q9NY59 2/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
MAPK1 P28482 1/20 0.36
TLR8 Q9NR97 1/20 0.35
CYP11B2 P19099 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 2/20 0.34
PDE10A Q9Y233 3/20 0.32
MEN1 O00255 2/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL25801350 0.81 SMPD3 (0.41) SMPD3POLBMAPTALDH1A1GAA
SCHEMBL23048328 0.81 SMPD3 (0.41) SMPD3POLBMAPTALDH1A1GAA
SCHEMBL20128584 0.68 POLB (0.38) HRH4POLBMAPTALDH1A1PDE10A
SCHEMBL18053572 0.68 POLB (0.43) POLBALDH1A1GAAPDE10AKDM4E
SCHEMBL2162691 0.68 ALDH1A1 (0.40) POLBALDH1A1GAAPDE10AKDM4E
SCHEMBL12324150 0.68 POLB (0.40) POLBMAPTALDH1A1GAAPDE10A
SCHEMBL23048330 0.66 POLB (0.39) POLBTLR8KDM4E
SCHEMBL23964777 0.66 POLB (0.39) POLBTLR8KDM4E
SCHEMBL12403839 0.66 MAPT (0.42) IKBKBKMT2ATLR8MAPTALDH1A1
SCHEMBL18867172 0.65 MAPT (0.41) IKBKBHRH4HRH3KMT2APOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS GENENTECH, INC. (US) 2023-07-13 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-20230218782-A1 IMAGING METHODS USING DEUTERATED COMPOUNDS SLC10A1, SLC9B2, RXFP1 IKBKB 4078/4885SMPD3 967/4885HRH4 243/4885

“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.