SCHEMBL3853950

SCHEMBL3853950

COc1ncccc1-c1cc(C2CCCN2C(=O)OC(C)(C)C)on1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.64
HCRTR2 O43614 13/20 0.64
USP30 Q70CQ3 4/20 0.42
UCHL1 P09936 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3853946 1.00 HCRTR1 (0.64) HCRTR1HCRTR2USP30UCHL1JAK2
SCHEMBL21065161 0.91 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL21065207 0.91 HCRTR2 (0.65) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL21065162 0.91 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL21065206 0.91 HCRTR2 (0.65) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3916610 0.89 HCRTR1 (0.53) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3916612 0.89 HCRTR1 (0.53) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3852302 0.88 HCRTR1 (0.50) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3852298 0.88 HCRTR1 (0.50) HCRTR1HCRTR2USP30UCHL1POLB
SCHEMBL3922427 0.86 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
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 HCRTR1 3664/4885HCRTR2 3725/4885USP30 4548/4885

“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.