SCHEMBL18511632

SCHEMBL18511632

CCCCNc1nc(C)nc2ccn(CC3CCCO3)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 14/20 0.45
▸ MAPK1 P28482 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18511658 1.00 TLR7 (0.45) TLR7MAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL17038336 0.90 TLR7 (0.58) TLR7
SCHEMBL16484108 0.90 TLR7 (0.58) TLR7
SCHEMBL20901228 0.90 TLR7 (0.58) TLR7
SCHEMBL16483427 0.87 PKM (0.44) TLR7MAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL18511612 0.85 TLR7 (0.48) TLR7MAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL18511586 0.85 TLR7 (0.50) TLR7MAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL18511611 0.84 TLR7 (0.47) TLR7MAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL18511628 0.81 KCNH2 (0.41) TLR7
SCHEMBL18511627 0.79 TLR7 (0.39) TLR7ALDH1A1HSD17B10KDM4EHPGD

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-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases JANSSEN SCIENCES IRELAND UC (IE) 2017-02-16 — — 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-20170044169-A1 Pyrrolo[3,2-d]pyrimidine derivatives for the treatment of viral infections and other diseases TYMS, TYMP, DPYD TLR7 1485/4885MAPK1 3940/4885ALDH1A1 2595/4885

“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.

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