SCHEMBL4884979

SCHEMBL4884979

c1nc2nc[nH]c(N3CCCCC3)c-2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
AKT2 P31751 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
MAP3K5 Q99683 1/20 0.45
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
JAK3 P52333 2/20 0.37
IP6K1 Q92551 5/20 0.34
JAK2 O60674 1/20 0.34
ADORA3 P0DMS8 6/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
CDC7 O00311 1/20 0.33
ROS1 P08922 1/20 0.33
KIT P10721 1/20 0.33
MARK3 P27448 1/20 0.33
FLT3 P36888 1/20 0.33
CDK8 P49336 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
SCHEMBL4908538 0.72 HPGD (0.36) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL5376301 0.71 HTT (0.42) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL5374702 0.68 IP6K1 (0.41) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL29804847 0.63 HTT (0.58) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL8939237 0.63 HTT (0.58) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL3287249 0.62 HTT (1.00) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL29804936 0.61 HTT (0.57) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL9095851 0.61 HTT (0.57) HTTAKT2LMNAALOX15MAP3K5
SCHEMBL17933853 0.60 LMNA (0.48) HTTLMNAIP6K1JAK2ADORA3
SCHEMBL9095854 0.60 HTT (1.00) HTTAKT2LMNAALOX15MAP3K5

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-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2008-05-08 US claimed
US-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-20070042030-A1 Preparation for the application of agents in mini-droplets IDEA AG (DE) 2007-02-22 US disclosed
US-6165500-A Preparation for the application of agents in mini-droplets IDEA AG (DE) 2000-12-26 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 (2 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-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent HSP90B1, HSPBP1, HSP90AB2P HTT 2483/4885AKT2 2414/4885LMNA 1466/4885
US-20070042030-A1 Preparation for the application of agents in mini-droplets FABP4, NPC1L1, LIPA HTT 2655/4885AKT2 1873/4885LMNA 327/4885

“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.