SCHEMBL3373887

SCHEMBL3373887

N#Cc1cnc2ccc(/C=C3/SC(NCc4cccs4)=NC3=O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 11/20 0.40
CYP1A2 P05177 9/20 0.40
CYP3A4 P08684 8/20 0.40
CYP2D6 P10635 8/20 0.40
CYP2C19 P33261 6/20 0.40
LMNA P02545 6/20 0.40
HSD17B10 Q99714 6/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 4/20 0.40
CYP2C9 P11712 3/20 0.40
TSHR P16473 3/20 0.40
HIF1A Q16665 3/20 0.40
TP53 P04637 2/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 3/20 0.38
ALOX15 P16050 3/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 5/20 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
SCHEMBL13069461 1.00 CLK4 (0.40) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3373888 1.00 CLK4 (0.40) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14337693 0.84 BRD4 (0.32) CLK4LMNAALDH1A1MEN1KMT2A
SCHEMBL3373570 0.84 BRD4 (0.32) CLK4LMNAALDH1A1MEN1KMT2A
SCHEMBL3372767 0.84 BRD4 (0.32) CLK4LMNAALDH1A1MEN1KMT2A
SCHEMBL13069006 0.83 VNN1 (0.39) LMNAALDH1A1TSHRHIF1ATP53
SCHEMBL3372593 0.83 VNN1 (0.39) LMNAALDH1A1TSHRHIF1ATP53
SCHEMBL3372598 0.83 VNN1 (0.39) LMNAALDH1A1TSHRHIF1ATP53
SCHEMBL5573283 0.82 PKM (0.38) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5570169 0.82 PKM (0.38) CLK4CYP1A2CYP3A4CYP2D6CYP2C19

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
EP-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP claimed
EP-1869036-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. Hoffmann-Roche AG (CH) 2007-12-26 EP claimed
US-7304074-B2 Substituted 1,5-naphthyridine azolinones HOFFMANN-LA ROCHE INC. (US) 2007-12-04 US claimed
WO-2006106046-A1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
US-20060223843-A1 Substituted 1,5-naphthyridine azolinones LIU JIN-JUN 2006-10-05 US claimed
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
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 CLK4 287/4885CYP1A2 1474/4885CYP3A4 478/4885

“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.