SCHEMBL3372625

SCHEMBL3372625

Cc1ccc2nccc(OC(C)C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
MCHR1 Q99705 1/20 0.37
CCR1 P32246 1/20 0.36
RAB9A P51151 1/20 0.36
CCR5 P51681 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TGFBR1 P36897 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
IRAK4 Q9NWZ3 7/20 0.34
TLR8 Q9NR97 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL3371078 0.78 CCR1 (0.41) MCHR1CCR1MEN1KMT2APOLB
SCHEMBL24305728 0.74 CCR1 (0.40) CCR1RAB9ACCR5POLBTGFBR1
SCHEMBL17641054 0.72 MCHR1 (0.68) MCHR1CCR1RAB9ACCR5MEN1
SCHEMBL7519332 0.72 CCR1 (0.46) CCR1RAB9ACCR5KMT2APOLB
SCHEMBL29812509 0.72 MEN1 (0.40) MEN1KMT2APOLBTGFBR1
SCHEMBL23147159 0.72 MEN1 (0.40) MEN1KMT2APOLBTGFBR1
SCHEMBL13738619 0.70 CCR1 (0.50) GRM5MCHR1CCR1RAB9ACCR5
SCHEMBL5264584 0.69 TGFBR1 (0.45) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL3372322 0.69 CCR1 (0.43) CCR1RAB9ACCR5KMT2APOLB
SCHEMBL30625762 0.69 METAP2 (0.50) CCR1RAB9ACCR5KMT2APOLB

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 GRM5 3627/4885MCHR1 3857/4885CCR1 3897/4885

“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.