SCHEMBL3383146

SCHEMBL3383146

c1cnc2c(Nc3ccncn3)nccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50
CCNA2 P20248 7/20 0.42
CDK2 P24941 7/20 0.42
CCNA1 P78396 7/20 0.42
CDK5 Q00535 7/20 0.42
DYRK1A Q13627 6/20 0.42
CDK5R1 Q15078 6/20 0.42
KDM4E B2RXH2 2/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL2075255 0.79 TGFBR1 (0.48) JAK2TYK2CCNA2CDK2CCNA1
SCHEMBL3381050 0.76 MDM2 (0.44) KDM4EMMP2TSHRGMNNLMNA
SCHEMBL3378292 0.74 GRM5 (0.62) TP53MAPTNFKB1SMN1; SMN2HIF1A
SCHEMBL3379646 0.73 L3MBTL1 (0.55) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL10094257 0.72 CCNA2 (0.45) JAK2TYK2CCNA2CDK2CCNA1
SCHEMBL4630887 0.71 GSK3A (0.53) JAK2TYK2CCNA2CDK2CCNA1
SCHEMBL14088964 0.71 LMNA (0.52) KDM4EMMP2TSHRGMNNLMNA
SCHEMBL25289695 0.70 MAPT (0.56) JAK2TYK2KDM4ELMNAMAPT
SCHEMBL26928896 0.70 GRM4 (0.59) KDM4EMMP2TSHRGMNNLMNA
Hydrochloric Acid SCHEMBL7857018 0.69 GSK3A (0.51) JAK2TYK2CCNA2CDK2CCNA1

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-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 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-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 JAK2 1596/4885TYK2 2178/4885CCNA2 1993/4885

“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.