SCHEMBL3857264

SCHEMBL3857264

CC(C)(C)OC(=O)N1CCCCC1c1cc(-c2cccnc2)no1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.47
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
SCD O00767 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
CPT1A P50416 2/20 0.43
CPT1B Q92523 2/20 0.43
CPT2 P23786 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ACHE P22303 1/20 0.42
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
UCHL1 P09936 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
SCHEMBL3852300 0.97 HCRTR2 (0.49) USP30HCRTR1HCRTR2SCDGPR119
SCHEMBL17063835 0.87 HCRTR1 (0.57) USP30HCRTR1HCRTR2SCDALDH1A1
SCHEMBL17063834 0.87 HCRTR1 (0.57) USP30HCRTR1HCRTR2SCDALDH1A1
SCHEMBL21065089 0.81 HCRTR1 (0.57) USP30HCRTR1HCRTR2ALDH1A1
SCHEMBL21065088 0.81 HCRTR1 (0.57) USP30HCRTR1HCRTR2ALDH1A1
SCHEMBL4596239 0.81 HCRTR1 (0.45) USP30HCRTR1HCRTR2GPR119ALDH1A1
SCHEMBL4594977 0.81 HCRTR1 (0.45) USP30HCRTR1HCRTR2GPR119ALDH1A1
SCHEMBL2306639 0.80 CPT1A (0.66) USP30CPT1ACPT1BCPT2UCHL1
SCHEMBL2306645 0.80 CPT1A (0.66) USP30CPT1ACPT1BCPT2UCHL1
SCHEMBL3859454 0.80 SCD5 (0.48) USP30HCRTR1HCRTR2GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 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-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 USP30 4548/4885HCRTR1 3664/4885HCRTR2 3725/4885

“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.