SCHEMBL9911066

SCHEMBL9911066

CCCNc1cc(C)nc(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR Q13258 7/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
DNM2 P50570 6/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL12963407 0.83 CYP1A2 (0.49) CYP1A2CYP2C19CREBBPALDH1A1LMNA
SCHEMBL16608745 0.77 DNM2 (0.61) TLR8CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL14228432 0.76 DNM2 (0.43) TLR8CYP1A2ALDH1A1LMNAHTT
SCHEMBL8585646 0.75 TLR8 (0.81) TLR8CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL15585264 0.75 TLR8 (0.51) TLR8CYP1A2ALDH1A1LMNATP53
SCHEMBL28841507 0.75 TLR8 (0.51) TLR8CYP1A2ALDH1A1LMNATP53
SCHEMBL12963699 0.74 NOS3 (0.55) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL2629265 0.72 POLB (0.43) CYP1A2ALDH1A1LMNATSHRHTT
SCHEMBL14459561 0.72 PTGDR (0.55) PTGDR
SCHEMBL26877797 0.71 TRPM8 (0.44) CYP1A2CYP2C19CREBBPALDH1A1LMNA

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-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 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 (2 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-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 TLR8 1041/4885CYP1A2 273/4885CYP2C19 493/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 TLR8 1041/4885CYP1A2 273/4885CYP2C19 493/4885

“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.