SCHEMBL12229652

SCHEMBL12229652

CCOC(=O)Nc1nc2cc(-n3cnc(C=O)c3)cc(-c3cc(N4CCN(C)CC4)ncn3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
LDLR P01130 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
CYP2C19 P33261 2/20 0.33
LRRK2 Q5S007 2/20 0.33
ALOX15 P16050 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAPT P10636 4/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12229594 0.89 CYP1A2 (0.36) CYP1A2LDLRPCSK9CYP2C19ALOX15
SCHEMBL8998779 0.88 CYP1A2 (0.36) CYP1A2LDLRPCSK9CYP2C19LRRK2
SCHEMBL8998949 0.87 CYP1A2 (0.38) CYP1A2CYP2C19LRRK2ALOX15FLT3
SCHEMBL8998750 0.83 CYP1A2 (0.37) CYP1A2LDLRPCSK9CYP2C19ALOX15
SCHEMBL13953990 0.83 CYP1A2 (0.37) CYP1A2LDLRPCSK9CYP2C19ALOX15
SCHEMBL12229675 0.80 LMNA (0.32) CYP1A2POLBALDH1A1CYP2C9MAPK1
SCHEMBL8999560 0.77 P4HTM (0.43) CYP1A2LRRK2ALOX15HRH4ALDH1A1
SCHEMBL8998786 0.77 CYP1A2 (0.35) CYP1A2LDLRPCSK9CYP2C19ALOX15
SCHEMBL13752544 0.74 CYP1A2 (0.35) CYP1A2CYP2C19LRRK2ALOX15FLT3
SCHEMBL8998497 0.74 HRH4 (0.35) LDLRPCSK9MAPTHRH4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034832-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 US disclosed
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-12-31 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-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B CYP1A2 1272/4885LDLR 4388/4885PCSK9 1323/4885

“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.