SCHEMBL3372252

SCHEMBL3372252

Cc1ccc2ncc(C#N)c(OC(C)C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
LRRK2 Q5S007 1/20 0.35
XDH P47989 3/20 0.34
CHRM4 P08173 2/20 0.34
LMNA P02545 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL3372831 0.82 FGFR4 (0.46) SRCLRRK2XDH
SCHEMBL13069003 0.82 SRC (0.37) SRCLRRK2XDHCYP11B1CYP11B2
SCHEMBL13739159 0.80 CCR1 (0.42) XDHLMNACYP11B1CYP11B2CNR1
SCHEMBL15979212 0.77 RAB9A (0.38) SRCLRRK2CHRM4
SCHEMBL13069292 0.75 KDM5A (0.37) LRRK2CHRM4
SCHEMBL3374333 0.75 CSNK1A1 (0.38) SRCLRRK2CHRM4
SCHEMBL27668260 0.72 LRRK2 (0.57) SRCLRRK2XDH
SCHEMBL13955657 0.71 SRC (0.44) SRCLRRK2XDHCYP11B1CYP11B2
SCHEMBL3373015 0.71 CHEK1 (0.38) LRRK2LMNA
SCHEMBL13068861 0.71 CHEK1 (0.38) LRRK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101155808-B Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP disclosed
CN-101155808-A Substituted 1,5-naphthyridine azolidinones as cdk inhibitors HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1869036-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US disclosed
WO-2006106046-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones LIU JIN-JUN 2006-10-05 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-20060223843-A1 Substituted 1,5-naphthyridine azolinones CDK4, CDK1, CDK14 SRC 443/4885LRRK2 1830/4885XDH 2931/4885

“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.