SCHEMBL3919918

SCHEMBL3919918

CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(-c2cccnc2C#N)no1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.48
HCRTR2 O43614 9/20 0.48
USP30 Q70CQ3 3/20 0.41
UCHL1 P09936 3/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3919921 1.00 HCRTR1 (0.48) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL4917573 0.95 HCRTR1 (0.43) HCRTR1HCRTR2USP30UCHL1
SCHEMBL4917565 0.95 HCRTR1 (0.43) HCRTR1HCRTR2USP30UCHL1
SCHEMBL3916610 0.87 HCRTR1 (0.53) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3916612 0.87 HCRTR1 (0.53) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3852302 0.86 HCRTR1 (0.50) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3852298 0.86 HCRTR1 (0.50) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3853950 0.85 HCRTR1 (0.64) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3853946 0.85 HCRTR1 (0.64) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3922427 0.85 HCRTR1 (0.49) HCRTR1HCRTR2USP30UCHL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869032-B8 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-03-25 EP disclosed
EP-1869032-B1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2008-08-13 EP disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 WO disclosed
WO-2006106307-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-10-12 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 (2 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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 HCRTR1 4170/4885HCRTR2 4357/4885USP30 4439/4885
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 HCRTR1 4468/4885HCRTR2 4336/4885USP30 4385/4885

“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.