SCHEMBL4824684

SCHEMBL4824684

CCCCNc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.43
TLR7 Q9NYK1 9/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACP1 P24666 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4823243 0.74 CNR1 (0.49) KDM4EALDH1A1TDP1
SCHEMBL2494993 0.71 MAPT (0.61) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1485752 0.68 MAPT (0.70) KDM4EL3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL7470222 0.67 CRHR1 (0.43) TLR8TLR7ALDH1A1HPGD
SCHEMBL5733104 0.67 TLR9 (0.47) NPSR1ACP1ALDH1A1LMNAHPGD
SCHEMBL20692502 0.66 MAPT (0.59) L3MBTL1ALDH1A1
SCHEMBL17225159 0.65 MAPT (0.57) L3MBTL1
SCHEMBL18722580 0.65 MAPT (0.57) L3MBTL1
SCHEMBL4823172 0.65 ADORA1 (0.51) ALDH1A1
SCHEMBL14516262 0.64 TLR8 (0.47) TLR8TLR7KDM4EL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326706-B2 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-20050054659-A1 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054659-A1 Pyrazine modulators of cannabinoid receptors CNR1, CNR2, GPR18 TLR8 2723/4885TLR7 1653/4885KDM4E 3517/4885

“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.