SCHEMBL2414108

SCHEMBL2414108

CCCCCc1nc(N)c2cccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ TLR8 Q9NR97 10/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HCAR2 Q8TDS4 3/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ ADK P55263 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
SCHEMBL1458588 0.80 TLR8 (0.57) TLR8TLR7
SCHEMBL22498767 0.79 TLR8 (0.58) TLR8TLR7
SCHEMBL29377718 0.79 TLR8 (0.58) TLR8TLR7
SCHEMBL28203089 0.79 TLR8 (0.58) TLR8TLR7
SCHEMBL28510573 0.73 TLR8 (0.54) TLR8TLR7
SCHEMBL3321246 0.72 PDPK1 (0.52) TLR8PDPK1TLR7
SCHEMBL28504818 0.72 TLR8 (0.51) TLR8TLR7
SCHEMBL29768670 0.71 LIMK1 (0.51) ADORA1DHFR
Benzene SCHEMBL28801411 0.70 GPR84 (0.41) TLR8TLR7ADORA3ADORA2AADORA2B
SCHEMBL1260043 0.70 DHFR (0.59) ADORA2ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022077-B2 Pyrido[2,3-d]pyrimidines useful as HCV inhibitors, and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-09-20 — — US disclosed
EP-1888580-B1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARM LTD (IE) 2010-03-03 — — EP disclosed
US-20090131460-A1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-05-21 — — US disclosed
EP-1888580-A2 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-02-20 — — EP disclosed
WO-2006120252-A2 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 — — 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-20090131460-A1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF DPYD, TYMP, PNP PDE4A 789/4885PDE4B 698/4885PDE4C 783/4885

“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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