SCHEMBL3557495

SCHEMBL3557495

CC(=O)N1C[C@H](C)N(c2ccc(NC(=N)N)cc2)C[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
AR P10275 13/20 0.39
TRPV1 Q8NER1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PI4KB Q9UBF8 1/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3555362 0.76 WNT3A (0.45) MAPTGFERMEN1KMT2ASYK
SCHEMBL3551116 0.73 MMP2 (0.42) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL20873919 0.69 GFER (0.37) MAPTGFERAR
SCHEMBL4162969 0.68 MAPT (0.75) MAPTLMNAGFERL3MBTL1MEN1
SCHEMBL10895758 0.68 SMN1; SMN2 (0.61) MAPTL3MBTL1MEN1KMT2AKDM4E
Bicarbonate SCHEMBL3555865 0.68 MAPT (0.63) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL24677876 0.67 TSHR (0.54) MAPTGAA
Bicarbonate SCHEMBL3553210 0.66 MAPT (0.41) MAPTLMNAGFERL3MBTL1MEN1
SCHEMBL4165340 0.66 MAPT (0.70) MAPTL3MBTL1KMT2AALDH1A1
Bicarbonate SCHEMBL3547040 0.66 MAPT (0.71) MAPTLMNAGFERL3MBTL1MEN1

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 3632/4885LMNA 988/4885GFER 4593/4885

“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.