SCHEMBL3551145

SCHEMBL3551145

CCCc1ncc(C(C)=O)n1CC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SRC P12931 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13114028 0.81 ALOX15 (0.57) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL6106298 0.77 MAPK1 (0.40) ALDH1A1LMNASRCMAPK1CASP1
SCHEMBL3557023 0.76 MAPT (0.46) ALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL3557021 0.76 MAPT (0.46) ALOX15ALDH1A1LMNASMN1; SMN2
SCHEMBL2281613 0.75 MAPK1 (0.33) ALOX15ALDH1A1LMNANPSR1SRC
SCHEMBL1447305 0.72 HTT (0.38) ALDH1A1LMNAMAPK1CASP1CASP7
SCHEMBL1448326 0.71 PIK3CD (0.33) MAPK1CASP1CASP7
SCHEMBL1447750 0.71 KMT2A (0.33) ALDH1A1NPSR1MAPK1CASP1CASP7
SCHEMBL8654020 0.70 ALOX15 (0.57) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL1447738 0.70 PDE1C (0.39) ALDH1A1NPSR1SMN1; SMN2

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 ALOX15 876/4885ALDH1A1 320/4885LMNA 988/4885

“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.