SCHEMBL4655828

SCHEMBL4655828

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.63
TLR8 Q9NR97 1/20 0.60
CSNK1D P48730 1/20 0.58
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAP2K1 Q02750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPK13 O15264 1/20 0.49
LIMK1 P53667 1/20 0.49

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
SCHEMBL3155668 0.89 TLR8 (0.72) BRAFTLR8KDM4ENPC1RAB9A
SCHEMBL11472378 0.87 MAP2K1 (0.65) BRAFKDM4ENPC1RAB9AMAP2K1
SCHEMBL3164329 0.85 BRAF (0.82) BRAFTLR8KDM4EALDH1A1HPGD
SCHEMBL4656785 0.84 BRAF (0.59) BRAFTLR8KDM4ENPC1RAB9A
SCHEMBL3169712 0.84 BRAF (0.61) BRAFTLR8KDM4ENPC1RAB9A
SCHEMBL3161762 0.84 BRAF (0.58) BRAFTLR8KDM4ENPC1RAB9A
SCHEMBL11351081 0.82 BRAF (0.58) BRAFTLR8CSNK1DKDM4ENPC1
SCHEMBL3161975 0.81 MARK2 (0.62) BRAFTLR8KDM4ENPC1RAB9A
SCHEMBL3170569 0.81 BRAF (0.61) BRAFTLR8KDM4ENPC1RAB9A
SCHEMBL4763004 0.81 BRAF (0.80) BRAFMAPK13LIMK1MARK2

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
EP-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS BRAF 289/4885TLR8 3604/4885CSNK1D 2378/4885
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, DUT, TYMP BRAF 817/4885TLR8 3100/4885CSNK1D 2602/4885

“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.