SCHEMBL3551490

SCHEMBL3551490

CCCC(=O)N(CC)c1cnoc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
TSHR P16473 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
MLYCD O95822 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL1447777 0.78 MLYCD (0.40) TSHRLMNAHTTKDM4EHPGD
SCHEMBL1448131 0.77 TSHR (0.34) TP53TSHRLMNAHTTNPSR1
SCHEMBL1447502 0.76 HTT (0.40) TP53TSHRLMNAHTTKDM4E
SCHEMBL4055701 0.69 CYP3A4 (0.58) TP53TSHRLMNANPSR1L3MBTL1
SCHEMBL6596993 0.68 NPC1 (0.35) TP53LMNAHTTNPSR1MLYCD
Hydrochloric Acid SCHEMBL5245490 0.67 CSF1R (0.33) TP53LMNAHTTNPSR1SMN1; SMN2
SCHEMBL4762813 0.67 TP53 (0.46) TP53TSHRHTTMLYCDALDH1A1
SCHEMBL11530073 0.67 TP53 (0.36) TP53TSHRLMNAHTTKDM4E
SCHEMBL13090981 0.67 ALDH1A1 (0.47) TP53TSHRLMNAGAANPSR1
SCHEMBL5595921 0.66 TP53 (0.79) TP53TSHRMAPTMLYCDSMN1; 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 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 TP53 409/4885TSHR 4668/4885LMNA 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.