SCHEMBL3371078

SCHEMBL3371078

CC(C)Oc1ccnc2ccc(C=O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FGFR4 P22455 4/20 0.37
IRAK4 Q9NWZ3 7/20 0.36
ALDH1A1 P00352 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A3 P47895 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2C Q14957 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 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
SCHEMBL3372625 0.78 GRM5 (0.40) CCR1IRAK4MCHR1MEN1POLB
SCHEMBL3405834 0.76 MCHR1 (0.32) MAPTIRAK4ALDH1A1MCHR1GRIN3B
SCHEMBL13739153 0.76 MCHR1 (0.60) CCR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL3372661 0.75 MAPT (0.44) CYP1A2MAPTCYP2C19ALDH1A1MEN1
SCHEMBL3375305 0.75 MAPT (0.44) CYP1A2MAPTCYP2C19ALDH1A1MEN1
SCHEMBL13737374 0.73 CCR1 (0.52) CCR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL12068249 0.73 CCR1 (0.67) CCR1MAPTFGFR4ALDH1A1MEN1
SCHEMBL30262339 0.71 CYP1A2 (0.45) CCR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL3373060 0.71 MAPT (0.35) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL13738235 0.71 CCR1 (0.44) CCR1CYP1A2MAPTCYP2C9CYP2C19

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 10 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
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 CCR1 3897/4885CYP1A2 1474/4885MAPT 2888/4885

“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.