SCHEMBL3924645

SCHEMBL3924645

CN(c1cc(-c2ccccc2)c2ncn(C)c2c1)c1ccnc(NCC2CCNCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ HRH4 Q9H3N8 2/20 0.40
▸ TRIM58 Q8NG06 3/20 0.39
▸ PAK4 O96013 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ IRAK1 P51617 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ VCP P55072 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ CTSS P25774 2/20 0.34

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
SCHEMBL3923646 0.85 VCP (0.35) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3933938 0.85 GRIN2B (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3922542 0.84 GRIN2B (0.40) VCPUSP30
SCHEMBL3922547 0.83 VCP (0.37) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3924760 0.83 HRH4 (0.43) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3935077 0.81 MAP3K5 (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5948011 0.80 CCNE1 (0.48) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3927808 0.80 NPC1 (0.36) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3924707 0.78 MKNK1 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3924389 0.78 MAPK8 (0.40) CCNE2CCNA2CCNE1CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP claimed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO claimed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — US claimed
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — 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-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 CCNE2 3333/4885CCNA2 2192/4885CCNE1 3302/4885

“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.

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