SCHEMBL3375815

SCHEMBL3375815

O=C1CN(C(=O)OCc2ccccc2)C(NCc2ccccc2C(F)(F)F)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3374014 0.90 KCNH2 (0.39) GAANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL5573770 0.85 NPC1 (0.42) P2RX7GAANPC1RAB9AMAPK1
SCHEMBL5571307 0.83 MEN1 (0.44) P2RX7GAANPC1RAB9AHDAC3
SCHEMBL5573853 0.83 SIGMAR1 (0.41) P2RX7GAANPC1RAB9AHDAC3
SCHEMBL5571337 0.80 P2RX7 (0.46) P2RX7ALDH1A1TDP1L3MBTL1NPSR1
SCHEMBL5573787 0.79 SMN1; SMN2 (0.42) GAANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL5571312 0.79 NPSR1 (0.41) GAANPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL5573831 0.77 MEN1 (0.43) P2RX7GAANPC1RAB9AMAPK1
SCHEMBL5573742 0.73 KDM1A (0.40) P2RX7GAANPC1RAB9AHDAC3
SCHEMBL5574715 0.73 SYK (0.43) GAANPC1RAB9AMAPK1SMN1; SMN2

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
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP 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-7268231-B2 1,5-Naphthyridine azolinone HOFFMANN-LA ROCHE INC. (US) 2007-09-11 US disclosed
EP-1805174-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 EP 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
WO-2006040052-A1 1,5-NAPHTHYRIDINE AZOLIDINONES HAVING CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060084673-A1 1,5-naphthyridine azolinone LIU JIN-JUN 2006-04-20 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 (2 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-20060084673-A1 1,5-naphthyridine azolinone CDK1, CDK15, CDK14 P2RX7 4801/4885GAA 3756/4885NPC1 3308/4885
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones CDK4, CDK1, CDK14 P2RX7 4590/4885GAA 3848/4885NPC1 3343/4885

“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.