SCHEMBL3933938

SCHEMBL3933938

CN(c1cc(-c2ccccc2)c2ncn(C)c2c1)c1ccnc(NCC2CCN(C(=O)CN)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 12/20 0.41
▸ VCP P55072 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33

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
SCHEMBL3922542 0.91 GRIN2B (0.40) GRIN2BVCPUSP30CYP11B2
SCHEMBL3923646 0.85 VCP (0.35) GRIN2BVCPUSP30CCNE2CCNA2
SCHEMBL3924645 0.85 CCNE2 (0.45) VCPUSP30CCNE2CCNA2CCNE1
SCHEMBL3922547 0.85 VCP (0.37) GRIN2BVCPUSP30CCNE2CCNA2
SCHEMBL3924389 0.82 MAPK8 (0.40) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3924760 0.78 HRH4 (0.43) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5948116 0.77 USP30 (0.44) USP30PIM1
SCHEMBL5948011 0.76 CCNE1 (0.48) PIM1CCNE2CCNA2CCNE1CDK2
SCHEMBL3935077 0.76 MAP3K5 (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3927808 0.74 NPC1 (0.36) 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 GRIN2B 1353/4885VCP 1448/4885USP30 3340/4885

“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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