SCHEMBL5622720

SCHEMBL5622720

COCCOCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
HPGD P15428 5/20 0.46
AKT1 P31749 1/20 0.43
HIF1A Q16665 3/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CXCR2 P25025 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL3323634 0.88 HPGD (0.55) CA1CA2CA9HPGDHIF1A
SCHEMBL16569817 0.81 ALDH1A1 (0.57) CA1CA2CA9HPGDHIF1A
SCHEMBL5624248 0.81 RAB9A (0.52) NAMPTCA1CA2CA9HIF1A
SCHEMBL15985342 0.78 CA1 (0.53) CA1CA2CA9HPGDCA12
SCHEMBL20911812 0.78 CA1 (0.53) CA1CA2CA9HIF1ACA12
SCHEMBL10087199 0.77 CA1 (0.52) CA1CA2CA9HIF1ACA12
SCHEMBL5618327 0.77 CA1 (0.52) CA1CA2CA9HPGDCA12
SCHEMBL13841453 0.77 NAMPT (0.60) NAMPTHPGDAKT1ALDH1A1MAPT
SCHEMBL4550141 0.77 CA1 (0.54) CA1CA2CA9HPGDCA12
SCHEMBL25388983 0.76 TP53 (0.57) CA1CA2CA9HPGDCA12

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-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES CLAUS ECKHARD (DE) 2013-06-20 US disclosed
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2012-10-04 US disclosed
US-8217042-B2 Pyridopyrazines and their use as modulators of kinases ZENTARIS GMBH (DE) 2012-07-10 US disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 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 (3 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 NAMPT 980/4885CA1 4862/4885CA2 3359/4885
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 NAMPT 980/4885CA1 4862/4885CA2 3359/4885
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 NAMPT 980/4885CA1 4862/4885CA2 3359/4885

“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.