SCHEMBL4581027

SCHEMBL4581027

O=C(NC1CC1)c1ccc2cncc(-c3ccsc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.44
CDK8 P49336 10/20 0.44
PIM1 P11309 1/20 0.40
PRKCZ Q05513 1/20 0.38
IDH2 P48735 2/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL4581749 0.84 CCNC (0.39) CCNCCDK8PIM1PRKCZKDR
SCHEMBL4580301 0.82 CCNC (0.56) CCNCCDK8PIM1PRKCZ
SCHEMBL15743029 0.81 CNR1 (0.54) CCNCCDK8CYP46A1
SCHEMBL4578993 0.80 CCNC (0.54) CCNCCDK8PRKCZ
SCHEMBL4580115 0.79 HPGD (0.47) CCNCCDK8PIM1
SCHEMBL5147070 0.78 HTT (0.53)
SCHEMBL4580344 0.77 CCNC (0.50) CCNCCDK8PRKCZKDRCYP46A1
SCHEMBL15741796 0.77 HPGD (0.44) CCNCCDK8LCK
SCHEMBL4579300 0.77 SMN1; SMN2 (0.47) CCNCCDK8
SCHEMBL4579997 0.76 KDM4E (0.41) CCNCCDK8PIM1MAPK14CYP46A1

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
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-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives SERENEX, INC. 2008-02-07 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-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
US-7282506-B2 2,8-disubstituted naphthyridine derivatives SERENEX, INC. (US) 2007-10-16 US disclosed
EP-1773834-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES Serenex, Inc. (US) 2007-04-18 EP disclosed
WO-2006017672-A2 2, 8-DISUBSTITUTED NAPHTHYRIDINE DERIVATIVES SERENEX INC. (US) 2006-02-16 WO 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 516/4885PIM1 3356/4885
US-20080032991-A1 2, 8-disubstituted Naphthyridine Derivatives CCNA1, FOXM1, CCNA2 CCNC 289/4885CDK8 516/4885PIM1 3356/4885
US-20170049709-A1 THERAPEUTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT AND METHODS OF MAKING AND USING SAME CTSA, GAA, EEA1 CCNC 3798/4885CDK8 3244/4885PIM1 2821/4885

“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.