SCHEMBL4377716

SCHEMBL4377716

C[C@@H](c1ccccc1)c1nc2cccnc2c(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
LMNA P02545 2/20 0.41
TLR8 Q9NR97 6/20 0.39
TLR7 Q9NYK1 4/20 0.39
TOP1 P11387 2/20 0.38
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL29181137 0.80 HSD17B10 (0.52) LMNATLR8TLR7TSHRKMT2A
SCHEMBL213319 0.80 HSD17B10 (0.52) LMNATLR8TLR7TSHRKMT2A
SCHEMBL1905954 0.71 CHRM1 (0.44) LMNATSHRKMT2AKDM4ETP53
SCHEMBL191231 0.70 PRMT5 (0.44) PRMT5LMNATLR8TLR7HRH4
SCHEMBL7229671 0.70 MEN1 (0.47) PRMT5LMNATLR8TLR7KMT2A
SCHEMBL7240083 0.70 MEN1 (0.47) PRMT5LMNATLR8TLR7KMT2A
SCHEMBL2040217 0.67 KMT2A (0.43) LMNAKMT2AKDM4EHIF1AALDH1A1
SCHEMBL21796363 0.67 KMT2A (0.43) LMNAKMT2AKDM4EHIF1AALDH1A1
SCHEMBL481703 0.67 ATR (0.43) TLR8TLR7TSHRKDM4EALOX15
SCHEMBL16154377 0.67 PSMD14 (0.47) LMNATSHRKMT2AKDM4EGMNN

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-8329721-B2 Hydroxy and alkoxy substituted 1H-imidazonaphthyridines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
US-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS PFIZER INC. 2009-12-03 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-20090298821-A1 HYDROXY AND ALKOXY SUBSTITUTED IH-IMIDAZONAPHTHYRIDINES AND METHODS IL2, IL4, IFNG PRMT5 3717/4885LMNA 1966/4885TLR8 104/4885

“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.