SCHEMBL3852300

SCHEMBL3852300

CC(C)(C)OC(=O)N1CCCC1c1cc(-c2cccnc2)no1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.49
HCRTR1 O43613 7/20 0.49
SCD O00767 1/20 0.48
USP30 Q70CQ3 6/20 0.48
GPR119 Q8TDV5 3/20 0.45
UCHL1 P09936 1/20 0.43
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3857264 0.97 USP30 (0.47) HCRTR2HCRTR1SCDUSP30GPR119
SCHEMBL17063834 0.90 HCRTR1 (0.57) HCRTR2HCRTR1SCDUSP30MAPT
SCHEMBL17063835 0.90 HCRTR1 (0.57) HCRTR2HCRTR1SCDUSP30MAPT
SCHEMBL21065089 0.84 HCRTR1 (0.57) HCRTR2HCRTR1USP30MAPTNPSR1
SCHEMBL21065088 0.84 HCRTR1 (0.57) HCRTR2HCRTR1USP30MAPTNPSR1
SCHEMBL4596239 0.83 HCRTR1 (0.45) HCRTR2HCRTR1USP30GPR119UCHL1
SCHEMBL4594977 0.83 HCRTR1 (0.45) HCRTR2HCRTR1USP30GPR119UCHL1
SCHEMBL3859454 0.83 SCD5 (0.48) HCRTR2HCRTR1USP30GPR119MAPT
SCHEMBL3852498 0.83 SCD5 (0.48) HCRTR2HCRTR1USP30GPR119MAPT
SCHEMBL3916610 0.82 HCRTR1 (0.53) HCRTR2HCRTR1USP30UCHL1MAPT

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 HCRTR2 3725/4885HCRTR1 3664/4885SCD 3447/4885

“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.