Sugi Predict

Sugi Predict / Compounds / SCHEMBL8340940

SCHEMBL8340940

SCHEMBL8340940

CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c2CCCN3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.41
▸ CHRM3 P20309 2/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KIT P10721 2/20 0.38
▸ GRIA1 P42261 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ CKS1B P61024 2/20 0.37
▸ SKP1 P63208 2/20 0.37
▸ SKP2 Q13309 2/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TLR9 Q9NR96 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
SCHEMBL23979654 0.85 GBA1 (0.39) GBA1CHRM3PDE4APDE4BPDE4C
SCHEMBL22720305 0.82 GBA1 (0.45) GBA1POLBMEN1KMT2ACKS1B
SCHEMBL2796064 0.81 KIT (0.49) GBA1POLBKITGRIA1CKS1B
SCHEMBL22708883 0.79 CKS1B (0.40) GBA1POLBMEN1KMT2AKIT
SCHEMBL29423762 0.79 CKS1B (0.40) GBA1POLBMEN1KMT2AKIT
SCHEMBL23979677 0.78 CXCR2 (0.39) GBA1KITGRIA1DDB1CRBN
SCHEMBL2205804 0.76 ITGAV (0.35) POLBMEN1KMT2A
SCHEMBL30060994 0.76 POLB (0.47) GBA1POLBMEN1KMT2AKIT
SCHEMBL20011912 0.76 POLB (0.47) GBA1POLBMEN1KMT2AKIT
SCHEMBL21935475 0.76 DDB1 (0.44) POLBKITDDB1CRBNCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO 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-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R GBA1 901/4885CHRM3 1212/4885PDE4A 3880/4885

“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.