SCHEMBL6760288

SCHEMBL6760288

CCCCCc1ncc(N)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
TLR8 Q9NR97 7/20 0.41
TLR7 Q9NYK1 4/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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
SCHEMBL10818297 0.87 GABRP (0.42) DHFRTLR8TLR7PI4KAPI4K2B
SCHEMBL8525647 0.86 HSP90AA1 (0.38) DHFRTLR8KDM4EALDH1A1NOS2
SCHEMBL6405350 0.78 NOS3 (0.36) DHFRMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2444319 0.76 DHFR (0.36) DHFRTLR8TLR7PI4KAPI4K2B
SCHEMBL6755475 0.76 DHFR (0.45) DHFRTLR8TLR7PI4KAPI4K2B
SCHEMBL6753235 0.75 TLR7 (0.46) DHFRTLR8TLR7PI4KAPI4K2B
SCHEMBL23638023 0.74 ALDH1A1 (0.42) KDM4EMEN1USP2ALDH1A1GAA
SCHEMBL6706595 0.73 KCNH2 (0.43) DHFRTLR8TLR7PI4KAPI4K2B
SCHEMBL16738333 0.72 GPR84 (0.40) DHFRKDM4EMEN1ALDH1A1MAPT
SCHEMBL4551053 0.70 DHFR (0.45) DHFRTLR8TLR7PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US disclosed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP disclosed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 WO 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-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 DHFR 1223/4885TLR8 1662/4885TLR7 168/4885

“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.