SCHEMBL13638524

SCHEMBL13638524

C=C1CC(Nc2nccc(-c3cc4ccc(OCC5CO5)cc4s3)n2)CC(C)(C)N1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
MAP3K14 Q99558 1/20 0.30
EIF2AK2 P19525 1/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 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
SCHEMBL4478627 0.88 KCNH2 (0.44) KCNH2EIF2AK2TP53MAPTHPGD
SCHEMBL13638581 0.88 EIF2AK2 (0.40) KCNH2EIF2AK2
SCHEMBL13638308 0.87 KCNH2 (0.34) KCNH2EIF2AK2
SCHEMBL13638307 0.82 KCNH2 (0.38) KCNH2MEN1KMT2A
SCHEMBL13638582 0.82 ADRB2 (0.36) MAPT
SCHEMBL13638309 0.79 KCNH2 (0.38) KCNH2EIF2AK2MEN1KMT2A
SCHEMBL3473663 0.77 KCNH2 (0.47) KCNH2EIF2AK2TP53MAPTTSHR
SCHEMBL13638526 0.76 EIF2AK2 (0.32) KCNH2EIF2AK2
SCHEMBL13638579 0.76 SRC (0.35)
SCHEMBL13638676 0.76 MKNK1 (0.36) KCNH2EIF2AK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK KCNH2 3073/4885MAP3K14 130/4885EIF2AK2 108/4885

“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.