SCHEMBL5266567

SCHEMBL5266567

COc1ccc(-c2cncc3ccc(C(=O)NCc4ccncc4)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
GSK3B P49841 2/20 0.51
CDK2 P24941 1/20 0.51
MAPT P10636 1/20 0.47
CLK1 P49759 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL15747584 0.92 RAB9A (0.51) RAB9AGSK3BMAPTALDH1A1HPGD
SCHEMBL15747561 0.89 SMN1; SMN2 (0.54) GSK3BCDK2ALDH1A1HPGDCYP1A2
SCHEMBL15742892 0.89 RAB9A (0.61) RAB9AGSK3BALDH1A1HPGDCYP1A2
SCHEMBL15743023 0.88 GSK3B (0.54) RAB9AGSK3BCYP3A4CYP2C9MEN1
SCHEMBL4580708 0.87 MAPK8 (0.49) RAB9AMAPTALDH1A1HPGDCYP1A2
SCHEMBL15743038 0.86 CNR1 (0.50) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17437248 0.85 CCNC (0.67) RAB9ACLK1CCNCCDK8
SCHEMBL15742985 0.84 ADORA2A (0.58) RAB9AGSK3BMAPTALDH1A1HPGD
SCHEMBL15747658 0.84 HPGD (0.49) RAB9AMAPTALDH1A1HPGDCYP1A2
SCHEMBL15747629 0.84 ROCK2 (0.53) GSK3BCDK2MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657014-B2 Substituted 1,6-naphthyridines HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES HOFFMANN-LA ROCHE INC. (US) 2015-09-10 US disclosed
WO-2014079787-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO 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-20150252044-A1 SUBSTITUTED 1,6-NAPHTHYRIDINES CBR3, CBR1, NR2C2 RAB9A 3204/4885GSK3B 4821/4885CDK2 709/4885

“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.