SCHEMBL4930847

SCHEMBL4930847

COc1nc2cc(C(N)=O)ncc2n1CCC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
LNPEP Q9UIQ6 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
PLK1 P53350 2/20 0.39
OPRM1 P35372 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL2948595 0.70 LMNA (0.46) LNPEPPLK1PDE4APDE4BPDE4C
SCHEMBL4930834 0.70 PLK1 (0.40) LNPEPPLK1OPRM1
SCHEMBL2950577 0.67 HTT (0.53) LNPEPPLK1
SCHEMBL4807417 0.65 LMNA (0.50) LNPEPPDE4APDE4BPDE4CPDE4D
SCHEMBL4801470 0.64 JAK2 (0.47) JAK2JAK1CNR2
SCHEMBL2947215 0.63 TSHR (0.42) LNPEPPLK1PDE4APDE4BPDE4C
SCHEMBL3633786 0.62 TRPC6 (0.54) PLK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4806387 0.62 HDAC6 (0.42) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL18686834 0.61 LNPEP (0.52) LNPEP
SCHEMBL30010960 0.59 PDE4A (0.46) PLK1OPRM1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US claimed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB CTSS 1164/4885CTSK 1343/4885LNPEP 1294/4885

“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.