SCHEMBL3557023

SCHEMBL3557023

CCCc1ncc(C(=O)C=CN(C)C)n1CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3557021 1.00 MAPT (0.46) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL3554224 0.82 HTT (0.40) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL3554226 0.82 HTT (0.40) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL1449077 0.78 HTT (0.37) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL4026109 0.78 MAPT (0.40) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL1447958 0.77 CYP1A2 (0.36) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL4513606 0.77 ALDH1A1 (0.39) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL1447757 0.76 MAPT (0.36) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL3551145 0.76 ALOX15 (0.43) ALDH1A1ALOX15SMN1; SMN2LMNA
SCHEMBL6594999 0.76 ALDH1A1 (0.46) MAPTALDH1A1RAB9ANPC1KMT2A

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 3632/4885ALDH1A1 320/4885RAB9A 3109/4885

“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.