SCHEMBL3852302

SCHEMBL3852302

CC(C)(C)OC(=O)N1CCCC1c1cc(-c2cccnc2Cl)no1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.50
HCRTR2 O43614 11/20 0.50
POLB P06746 2/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
USP30 Q70CQ3 3/20 0.42
UCHL1 P09936 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 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
SCHEMBL3852298 1.00 HCRTR1 (0.50) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL4917151 0.95 HCRTR1 (0.45) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL4917156 0.95 HCRTR1 (0.45) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL3916612 0.90 HCRTR1 (0.53) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL3916610 0.90 HCRTR1 (0.53) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL3922423 0.89 HCRTR1 (0.49) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL3922427 0.89 HCRTR1 (0.49) HCRTR1HCRTR2POLBTSHRLMNA
SCHEMBL3853946 0.88 HCRTR1 (0.64) HCRTR1HCRTR2POLBUSP30UCHL1
SCHEMBL3853950 0.88 HCRTR1 (0.64) HCRTR1HCRTR2POLBUSP30UCHL1
SCHEMBL21065162 0.86 HCRTR1 (0.65) HCRTR1HCRTR2

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 13 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
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
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
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
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 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 (3 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 4357/4885POLB 372/4885
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 HCRTR1 4468/4885HCRTR2 4336/4885POLB 2466/4885
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 3725/4885POLB 975/4885

“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.