SCHEMBL3552499

SCHEMBL3552499

CC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 1/20 0.51
SLC6A5 Q9Y345 4/20 0.48
SLC6A9 P48067 3/20 0.48
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
SMPD3 Q9NY59 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5200745 1.00 MAPT (0.54) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL5264680 0.90 ALDH1A1 (0.54) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL5264676 0.90 ALDH1A1 (0.54) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL7815260 0.87 ALDH1A1 (0.49) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL5232224 0.85 ALDH1A1 (0.51) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL4287745 0.85 ALDH1A1 (0.51) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL4287750 0.85 ALDH1A1 (0.51) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL31219759 0.84 ALDH1A1 (0.48) MAPTALDH1A1HTTSMN1; SMN2MTNR1A
SCHEMBL7852754 0.83 ALDH1A1 (0.48) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL7852751 0.83 ALDH1A1 (0.48) MAPTTHRBALDH1A1LMNAKMT2A

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 MAPT 3632/4885THRB 3973/4885ALDH1A1 320/4885

“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.