SCHEMBL3552698

SCHEMBL3552698

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.54
CDK2 P24941 1/20 0.45
PORCN Q9H237 2/20 0.42
PLAU P00749 1/20 0.40
HPN P05981 1/20 0.40
CCR1 P32246 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
BACE1 P56817 3/20 0.38
CNR2 P34972 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CNR1 P21554 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5203002 1.00 SYK (0.54) SYKCDK2PORCNPLAUHPN
SCHEMBL5241338 0.84 SYK (0.50) SYKPORCNPLAUHPNBACE1
SCHEMBL3554471 0.84 SYK (0.50) SYKPORCNPLAUHPNBACE1
SCHEMBL3550347 0.81 SYK (0.49) SYKCDK2PIK3C3BACE1CNR2
SCHEMBL13724767 0.81 SYK (0.49) SYKCDK2PIK3C3BACE1CNR2
SCHEMBL5201754 0.80 PORCN (0.47) SYKPORCNPLAUHPNBACE1
SCHEMBL3546921 0.80 PORCN (0.47) SYKPORCNPLAUHPNBACE1
SCHEMBL13723702 0.78 SYK (0.50) SYKCDK2PIK3C3BACE1CNR2
SCHEMBL3552676 0.74 MAPT (0.50) SYKALDH1A1MAPT
SCHEMBL13105736 0.73 SYK (0.51) SYKPORCNBACE1CNR2CYP2C8

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 2 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

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 1700/4885CDK2 84/4885PORCN 3688/4885

“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.