SCHEMBL4581270

SCHEMBL4581270

N#Cc1cccc(Nc2nccc(N3CCN(CC4CC4)C(=O)C3c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
SMG1 Q96Q15 1/20 0.42
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
MAOB P27338 1/20 0.38
GRM5 P41594 1/20 0.38
SYK P43405 3/20 0.38
CDK4 P11802 2/20 0.38
CDK2 P24941 2/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAP3K14 Q99558 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL4581351 0.90 SMG1 (0.42) CCNCCDK8SMG1IKBKBCHUK
SCHEMBL4580983 0.89 IKBKB (0.42) CCNCCDK8SMG1IKBKBCHUK
SCHEMBL4580226 0.85 CCNC (0.45) CCNCCDK8SMG1IKBKBCHUK
SCHEMBL4581942 0.82 IKBKB (0.46) CCNCCDK8SMG1IKBKBCHUK
SCHEMBL4582022 0.76 SMG1 (0.47) CCNCCDK8SMG1IKBKBCHUK
SCHEMBL4582418 0.76 CLPP (0.38) GRM5
SCHEMBL4581955 0.72 IKBKB (0.42) IKBKBCHUKMAOBGRM5CDK4
SCHEMBL4582376 0.69 KDR (0.43) SMG1IKBKBCHUKSYKCDK2
SCHEMBL4580811 0.69 KDR (0.51) SMG1MAOBGRM5CDK4CDK2
SCHEMBL4581040 0.69 KDR (0.51) SMG1SYKCDK2MEN1USP2

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-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 CCNC 1422/4885CDK8 484/4885SMG1 477/4885

“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.