SCHEMBL3858720

SCHEMBL3858720

COc1ncccc1-c1cc(C2CCC[N]2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
USP30 Q70CQ3 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
BTK Q06187 1/20 0.34
PIK3CA P42336 2/20 0.34
ACP1 P24666 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CARM1 Q86X55 1/20 0.33
MTOR P42345 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL4908629 0.92 HCRTR1 (0.47) HCRTR1HCRTR2USP30HRH4PDE1A
SCHEMBL3927571 0.84 HCRTR1 (0.35) HCRTR1HCRTR2ALOX5AP
SCHEMBL3856511 0.82 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL3929469 0.82 HCRTR1 (0.32) HCRTR1HCRTR2ACP1ALOX5AP
SCHEMBL3922291 0.81 SMYD3 (0.35) HCRTR1HCRTR2ALOX5AP
SCHEMBL3919791 0.79 BACE1 (0.32) HCRTR1HCRTR2
SCHEMBL3852338 0.78 CHRNB2 (0.47) HCRTR1HCRTR2USP30ACP1CHRNB4
SCHEMBL3852340 0.78 CHRNB2 (0.47) HCRTR1HCRTR2USP30ACP1CHRNB4
SCHEMBL3851051 0.77 NPC1 (0.31)
SCHEMBL3853970 0.76 NPC1 (0.40) USP30

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 10 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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US 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-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 (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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 HCRTR1 4170/4885HCRTR2 4357/4885USP30 4439/4885
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 3725/4885USP30 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.