SCHEMBL3555362

SCHEMBL3555362

CC(=O)N1[C@H](C)CN(c2ccc(NC(=N)N)cc2)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.45
MAPT P10636 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.37

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
Bicarbonate SCHEMBL3555865 0.78 MAPT (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
Bicarbonate SCHEMBL3553210 0.77 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4165340 0.77 MAPT (0.70) MAPTKMT2AALDH1A1RAB9ANPSR1
SCHEMBL3557495 0.76 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL27674679 0.76 MAPT (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL18436935 0.76 SMN1; SMN2 (0.47) ALDH1A1CYP2C19CYP3A4SMN1; SMN2
SCHEMBL4162969 0.75 MAPT (0.75) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19012630 0.74 MAPT (0.46) WNT3AMAPTMEN1KMT2AALDH1A1
SCHEMBL19012646 0.74 ACACB (0.45) WNT3AMAPTMEN1KMT2AALDH1A1
SCHEMBL25839430 0.74 L3MBTL1 (0.43) WNT3AMAPTMEN1KMT2AALDH1A1

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 WNT3A 4229/4885MAPT 3632/4885MEN1 338/4885

“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.