SCHEMBL3551801

SCHEMBL3551801

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.50
GFER P55789 1/20 0.50
FPR1 P21462 1/20 0.50
FPR2 P25090 1/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
CCNC P24863 2/20 0.48
CDK8 P49336 2/20 0.48
AKT1 P31749 1/20 0.48
SMPD3 Q9NY59 1/20 0.46
EED O75530 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CACNA2D1 P54289 1/20 0.44
SYK P43405 1/20 0.43
NAMPT P43490 2/20 0.43
ACACB O00763 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL5203906 1.00 CASP6 (0.50) CASP6GFERFPR1FPR2MTNR1A
SCHEMBL3551660 1.00 CASP6 (0.50) CASP6GFERFPR1FPR2MTNR1A
Hydrochloric Acid SCHEMBL5383077 0.98 FPR1 (0.49) CASP6GFERFPR1FPR2MTNR1A
Hydrochloric Acid SCHEMBL5406630 0.98 FPR1 (0.49) CASP6GFERFPR1FPR2MTNR1A
SCHEMBL13724538 0.91 GFER (0.57) CASP6GFEREEDDRD2DRD3
SCHEMBL20887685 0.88 ME3 (0.52) FPR1FPR2MTNR1AMTNR1BCCNC
SCHEMBL3714394 0.86 NAMPT (0.46) CASP6GFERMTNR1AMTNR1BNAMPT
SCHEMBL27258755 0.86 DRD2 (0.59) MTNR1AMTNR1BSMPD3DRD2DRD3
SCHEMBL3551387 0.82 MAPT (0.57)
SCHEMBL1749646 0.82 MAPT (0.57)

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 CASP6 144/4885GFER 4593/4885FPR1 3252/4885

“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.