SCHEMBL3557090

SCHEMBL3557090

CCC(=O)N(c1cnoc1C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
CRHR1 P34998 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
CSF1R P07333 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
SCHEMBL6594480 0.82 ALDH1A1 (0.34) SMN1; SMN2NPC1HTTALDH1A1LMNA
SCHEMBL1448022 0.79 LMNA (0.37) HTTLMNA
SCHEMBL1447777 0.72 MLYCD (0.40) HTTALDH1A1KDM4ELMNA
SCHEMBL4523198 0.69 TRPM8 (0.33) ALDH1A1KDM4ELMNA
SCHEMBL6593091 0.69 MLYCD (0.33) SMN1; SMN2NPC1HTTLMNATP53
SCHEMBL3551490 0.69 TP53 (0.41) SMN1; SMN2HTTALDH1A1KDM4EMAPT
SCHEMBL4021001 0.69 FAAH (0.31)
SCHEMBL4021989 0.69 TRPM8 (0.36) LMNA
SCHEMBL1448131 0.68 TSHR (0.34) SMN1; SMN2NPC1HTTALDH1A1LMNA
SCHEMBL1447502 0.67 HTT (0.40) HTTALDH1A1KDM4EMAPTLMNA

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 3 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
CN-100528865-C Imidazolo-5-yl-anilinopyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US 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 SMN1; SMN2 2427/4885APAF1 647/4885NPC1 3075/4885

“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.