SCHEMBL3561589

SCHEMBL3561589

CC(=O)N[C@@H]1CCN(c2ccc(NC(=NC(=O)O)NC(=O)O)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
FPR1 P21462 1/20 0.47
FPR2 P25090 1/20 0.47
NAMPT P43490 2/20 0.45
EED O75530 2/20 0.43
CNR1 P21554 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SMPD3 Q9NY59 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL5201859 0.84 EED (0.42) FPR1FPR2EEDHRH3SMPD3
Bicarbonate SCHEMBL3552212 0.78 FPR1 (0.51) MCHR1FPR1FPR2NAMPTEED
Bicarbonate SCHEMBL3552181 0.78 FPR1 (0.51) MCHR1FPR1FPR2NAMPTEED
SCHEMBL5241294 0.78 MAPT (0.36) MCHR1NAMPTKDM4EMEN1ALDH1A1
Bicarbonate SCHEMBL5240144 0.77 FPR1 (0.50) MCHR1FPR1FPR2NAMPTEED
SCHEMBL27258755 0.76 DRD2 (0.59) MCHR1NAMPTCNR1SMPD3DRD2
SCHEMBL3561584 0.75 FPR1 (0.46) MCHR1FPR1FPR2NAMPTEED
SCHEMBL3551801 0.74 CASP6 (0.50) MCHR1FPR1FPR2NAMPTEED
SCHEMBL3551660 0.74 CASP6 (0.50) MCHR1FPR1FPR2NAMPTEED
SCHEMBL5203906 0.74 CASP6 (0.50) MCHR1FPR1FPR2NAMPTEED

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 MCHR1 3934/4885FPR1 3252/4885FPR2 4303/4885

“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.