SCHEMBL4581759

SCHEMBL4581759

O=C(c1ccc2cncc(-c3cc4ccccc4o3)c2n1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.56
CDK8 P49336 4/20 0.56
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
EIF4E P06730 2/20 0.47
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TOP2A P11388 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
SCHEMBL4581108 0.91 CCNC (0.52) CCNCCDK8NPC1RAB9AMKNK1
SCHEMBL18024246 0.89 CCNC (0.55) CCNCCDK8NPC1RAB9AMKNK1
SCHEMBL4581564 0.88 ALDH1A1 (0.53) CCNCCDK8NPC1RAB9AALDH1A1
SCHEMBL4581031 0.88 CCNC (0.43) CCNCCDK8NPC1RAB9AMKNK1
SCHEMBL18024514 0.87 EIF4E (0.49) CCNCCDK8NPC1RAB9AMKNK1
SCHEMBL4580840 0.85 GRIN2B (0.54) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18024140 0.81 CCNC (0.45) CCNCCDK8RAB9AMKNK1ALDH1A1
SCHEMBL18024141 0.78 KDM4E (0.44) NPC1RAB9AMKNK1ALDH1A1KDM4E
SCHEMBL15742914 0.75 CCNC (0.72) CCNCCDK8NPC1RAB9ASMN1; SMN2
SCHEMBL5263350 0.74 CCNC (0.64) CCNCCDK8MKNK1MKNK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME PFIZER INC. 2017-02-23 US disclosed
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-20060030584-A1 2,8-Disubstituted naphthyridine derivatives SERENEX, INC. 2006-02-09 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 (3 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-20060030584-A1 2,8-Disubstituted naphthyridine derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885NPC1 916/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885NPC1 916/4885
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME CTSA, GAA, EEA1 CCNC 3798/4885CDK8 3244/4885NPC1 53/4885

“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.