SCHEMBL3922542

SCHEMBL3922542

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.40
▸ VCP P55072 3/20 0.37
▸ USP30 Q70CQ3 2/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ DPP4 P27487 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
SCHEMBL3933938 0.91 GRIN2B (0.41) GRIN2BVCPUSP30CYP11B2
SCHEMBL3924645 0.84 CCNE2 (0.45) VCPUSP30
SCHEMBL3922547 0.84 VCP (0.37) GRIN2BVCPUSP30
SCHEMBL3923646 0.83 VCP (0.35) GRIN2BVCPUSP30DPP4
SCHEMBL3924389 0.81 MAPK8 (0.40) —
SCHEMBL3924760 0.76 HRH4 (0.43) DPP4
SCHEMBL5948116 0.76 USP30 (0.44) USP30
SCHEMBL3935077 0.74 MAP3K5 (0.41) DPP4
SCHEMBL5948011 0.74 CCNE1 (0.48) —
SCHEMBL3927808 0.73 NPC1 (0.36) DPP4

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.

Send feedback