SCHEMBL3548134

SCHEMBL3548134

CNC(=O)[C@H]1CCCN1c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
CNR2 P34972 5/20 0.44
CNR1 P21554 3/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 1/20 0.42
BACE1 P56817 8/20 0.42
PORCN Q9H237 2/20 0.41
CASP6 P55212 1/20 0.39
GFER P55789 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK3 Q00526 1/20 0.37

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
SCHEMBL13723608 1.00 SYK (0.47) SYKCNR2CNR1CYP2C8CYP2C19
SCHEMBL13724339 0.96 SYK (0.51) SYKCNR2CNR1CYP2C8CYP2C19
SCHEMBL3557292 0.84 KDM4E (0.44) SYKCNR2CNR1CYP2C8CYP2C19
SCHEMBL5241338 0.82 SYK (0.50) SYKCNR2CNR1CYP2C8CYP2C19
SCHEMBL3554471 0.82 SYK (0.50) SYKCNR2CNR1CYP2C8CYP2C19
SCHEMBL3884242 0.82 SCN9A (0.41) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL4715449 0.81 SMN1; SMN2 (0.44) PORCNCASP6GFER
SCHEMBL77156 0.81 SYK (0.46) SYKGFER
SCHEMBL13723813 0.81 SYK (0.46) SYKGFER
Hydrochloric Acid SCHEMBL2333520 0.81 SCN9A (0.41) CNR2CNR1CYP2C8CYP2C19CYP2C9

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
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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 (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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI SYK 1700/4885CNR2 3044/4885CNR1 2469/4885

“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.