SCHEMBL682918

SCHEMBL682918

CN(C)C1CCN(c2ccc3c(Nc4ccc(C(=O)Nc5ccccc5)cc4)ccnc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.49
DNMT1 P26358 5/20 0.47
DNMT3A Q9Y6K1 4/20 0.47
DNMT3L Q9UJW3 2/20 0.47
ATR Q13535 2/20 0.44
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK6 Q00534 1/20 0.42
MYC P01106 1/20 0.41
MAP2K3 P46734 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
CHEK2 O96017 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
SCHEMBL684429 0.95 MCHR1 (0.54) MCHR1DNMT1DNMT3ADNMT3LATR
SCHEMBL678922 0.92 MCHR1 (0.53) MCHR1DNMT1DNMT3ADNMT3LATR
SCHEMBL682916 0.75 DNMT1 (0.60) DNMT1DNMT3ADNMT3LMYCMAP2K3
SCHEMBL683733 0.73 DNMT1 (0.50) MCHR1DNMT1DNMT3ADNMT3LMYC
SCHEMBL686753 0.73 DNMT1 (0.50) DNMT1DNMT3ADNMT3LMYCMAP2K3
SCHEMBL683853 0.73 DNMT1 (0.49) MCHR1DNMT1DNMT3ADNMT3LMYC
SCHEMBL678697 0.72 DNMT1 (0.58) DNMT1DNMT3ADNMT3LMYCMAP2K3
SCHEMBL13553269 0.72 DNMT1 (0.48) MCHR1DNMT1DNMT3ADNMT3LMYC
SCHEMBL684133 0.71 KDR (0.49) MCHR1DNMT1DNMT3ADNMT3L
SCHEMBL12529830 0.71 MCHR1 (0.89) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB MCHR1 4277/4885DNMT1 1209/4885DNMT3A 2101/4885

“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.