SCHEMBL4594977

SCHEMBL4594977

CC(C)(C)OC(=O)N1CCCC1c1cc(-c2ncccn2)no1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.45
HCRTR2 O43614 8/20 0.45
ALDH1A1 P00352 3/20 0.43
USP30 Q70CQ3 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
UCHL1 P09936 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4596239 1.00 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL4917611 0.94 USP30 (0.43) HCRTR1HCRTR2ALDH1A1USP30GPR119
SCHEMBL4917620 0.94 USP30 (0.43) HCRTR1HCRTR2ALDH1A1USP30GPR119
SCHEMBL3859454 0.89 SCD5 (0.48) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL3852498 0.89 SCD5 (0.48) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL3916612 0.86 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL3916610 0.86 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL3852302 0.85 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL3852298 0.85 HCRTR1 (0.50) HCRTR1HCRTR2ALDH1A1USP30LMNA
SCHEMBL17063835 0.85 HCRTR1 (0.57) HCRTR1HCRTR2ALDH1A1USP30LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269266-A1 NOVEL COMPOUNDS 747 ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2008117051-A1 S-6-METH0XY-2- (2- (3- (PYRIMID-2-YL) IS0XAZ0L-5-YL) PYRROLIDIN-1-YL) -4- (5-METHYL-IH-PYRAZOL-S-YLAMINO) PYRIMIDINE AND POLYMORPHIC FORMS THEREOF AS MODULATORS OF THE INSULIN-LIKE GROWTH ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
EP-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 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-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 HCRTR1 4468/4885HCRTR2 4336/4885ALDH1A1 1905/4885
US-20080269266-A1 NOVEL COMPOUNDS 747 UGT2B7, UGT1A7, CYP3A7 HCRTR1 4533/4885HCRTR2 4522/4885ALDH1A1 790/4885

“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.