SCHEMBL9912232

SCHEMBL9912232

CSc1nc(Cl)cc(-c2ccc(CO)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PDK1 Q15118 2/20 0.41
HTT P42858 1/20 0.39
PIK3CA P42336 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 1/20 0.36
TNF P01375 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
THRB P10828 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL9912279 0.78 POLB (0.43) POLBPDK1HTTPDK2PDK3
SCHEMBL4494425 0.77 ADORA2A (0.50) PIK3CAPI4KAPI4KBDYRK1A
SCHEMBL9912260 0.74 POLB (0.43) POLBPDK1HTTPDK2PDK3
SCHEMBL9912194 0.73 PTGDR (0.49) KMT2AMEN1GAATHRBNPC1
SCHEMBL7521036 0.71 KDM4E (0.56) POLBHTTKMT2AMEN1GAA
SCHEMBL22490825 0.71 CYP11B2 (0.42) PIK3CAPI4KAPI4KBS1PR1TNF
SCHEMBL4084793 0.71 IDO1 (0.44) POLBPDK1HTTPDK2PDK3
SCHEMBL4816969 0.70 NPC1 (0.39) POLBPDK1HTTPDK2PDK3
SCHEMBL21019879 0.69 PDK1 (0.39) POLBPDK1HTTPDK2PDK3
SCHEMBL7873581 0.69 KDM4E (0.49) POLBKMT2AMEN1GAASMN1; SMN2

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
EP-1891019-B1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2012-07-25 EP disclosed
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 POLB 3118/4885PDK1 2306/4885HTT 4685/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 POLB 3118/4885PDK1 2306/4885HTT 4685/4885

“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.