SCHEMBL3155668

SCHEMBL3155668

CCOC(=O)c1cnn2c(-c3cccc(C)c3)ccnc12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.72
BRAF P15056 11/20 0.65
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDR P35968 1/20 0.52
MAP2K1 Q02750 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
MAPK13 O15264 1/20 0.51
LIMK1 P53667 1/20 0.51
MARK2 Q7KZI7 1/20 0.51

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
SCHEMBL4655828 0.89 BRAF (0.63) TLR8BRAFKDM4ENPC1RAB9A
SCHEMBL11472378 0.89 MAP2K1 (0.65) BRAFKDM4ENPC1RAB9AALDH1A1
SCHEMBL4656020 0.87 BRAF (0.80) TLR8BRAFKDRMAPK13LIMK1
SCHEMBL3164329 0.86 BRAF (0.82) TLR8BRAFKDM4EALDH1A1HPGD
SCHEMBL3176935 0.86 TLR8 (0.82) TLR8BRAFKDM4EALDH1A1MAP2K1
SCHEMBL4656785 0.86 BRAF (0.59) TLR8BRAFKDM4ENPC1RAB9A
SCHEMBL3161762 0.85 BRAF (0.58) TLR8BRAFKDM4ENPC1RAB9A
SCHEMBL3169712 0.85 BRAF (0.61) TLR8BRAFKDM4ENPC1RAB9A
SCHEMBL4655935 0.85 BRAF (0.66) TLR8BRAFKDRMAPK13LIMK1
SCHEMBL11351081 0.84 BRAF (0.58) TLR8BRAFKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US claimed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US claimed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP claimed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO claimed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US disclosed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US disclosed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP disclosed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO disclosed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 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-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines AZI2, CDK2, TPMT TLR8 4131/4885BRAF 148/4885KDM4E 3705/4885

“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.