SCHEMBL4932058

SCHEMBL4932058

CCCCCn1c(N)nc2cnn(C)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.49
TRPA1 O75762 1/20 0.41
PNP P00491 1/20 0.41
CXCR4 P61073 1/20 0.38
USP2 O75604 2/20 0.37
POLB P06746 2/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL21393582 0.76 KDM4E (0.49) TRPA1POLBHTTHPGD
SCHEMBL21393588 0.73 ALDH1A1 (0.41) TRPA1POLBHTTHPGD
SCHEMBL22477732 0.71 ALDH1A1 (0.38) TRPA1POLBHTTHPGD
SCHEMBL7809883 0.71 ADORA2A (0.47) TLR8MEN1MAPTKMT2A
SCHEMBL22477705 0.71 ALDH1A1 (0.39) TRPA1POLB
SCHEMBL21363587 0.71 ALDH1A1 (0.39) TRPA1POLB
SCHEMBL9059983 0.68 PDE4A (0.55) TLR8TRPA1
SCHEMBL16972522 0.66 MAPT (0.44) TRPA1POLBMAPTPKMHPGD
SCHEMBL16972532 0.66 ADORA2B (0.47) AGTR1AGTR2
SCHEMBL1170110 0.66 TLR8 (1.00) TLR8CXCR4POLBHTT

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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B TLR8 1901/4885TRPA1 2803/4885PNP 490/4885

“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.