SCHEMBL3548535

SCHEMBL3548535

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
RORC P51449 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
EED O75530 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CNR2 P34972 4/20 0.34
SMPD3 Q9NY59 2/20 0.34
NAMPT P43490 1/20 0.34
CASR P41180 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL3555998 0.86 CCNC (0.37) FPR1FPR2CCNCCDK8EED
SCHEMBL3550705 0.80 RORC (0.33) RORC
SCHEMBL27258755 0.71 DRD2 (0.59) RORCDRD2DRD3MTNR1AMTNR1B
SCHEMBL3551801 0.70 CASP6 (0.50) FPR1FPR2DRD2DRD3CCNC
SCHEMBL20887685 0.70 ME3 (0.52) FPR1FPR2DRD2DRD3CCNC
SCHEMBL3551660 0.70 CASP6 (0.50) FPR1FPR2DRD2DRD3CCNC
SCHEMBL5203906 0.70 CASP6 (0.50) FPR1FPR2DRD2DRD3CCNC
SCHEMBL3561589 0.69 MCHR1 (0.47) FPR1FPR2DRD2DRD3CCNC
Hydrochloric Acid SCHEMBL5406630 0.69 FPR1 (0.49) FPR1FPR2DRD2DRD3CCNC
Hydrochloric Acid SCHEMBL5383077 0.69 FPR1 (0.49) FPR1FPR2DRD2DRD3CCNC

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 FPR1 3252/4885FPR2 4303/4885RORC 2067/4885

“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.