SCHEMBL13638308

SCHEMBL13638308

C=CCOc1ccc2cc(-c3ccnc(NC4CC(=C)NC(C)(C)C4)n3)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
SYK P43405 1/20 0.33
MAOA P21397 1/20 0.32
EIF2AK2 P19525 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
IKBKB O14920 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13638581 0.89 EIF2AK2 (0.40) KCNH2SYKEIF2AK2IKBKB
SCHEMBL3478097 0.89 KCNH2 (0.44) KCNH2SYKMAOAEIF2AK2PDE3B
SCHEMBL13638524 0.87 KCNH2 (0.33) KCNH2EIF2AK2
SCHEMBL13638307 0.84 KCNH2 (0.38) KCNH2IKBKB
SCHEMBL13638582 0.83 ADRB2 (0.36)
SCHEMBL13638309 0.80 KCNH2 (0.38) KCNH2EIF2AK2IKBKB
SCHEMBL3473663 0.78 KCNH2 (0.47) KCNH2EIF2AK2IKBKBLMNANPSR1
SCHEMBL13638676 0.77 MKNK1 (0.36) KCNH2EIF2AK2IKBKB
SCHEMBL14612804 0.77 MKNK1 (0.39) EIF2AK2IKBKB
SCHEMBL3477093 0.76 KCNH2 (0.48) KCNH2SYKEIF2AK2

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 3073/4885SYK 95/4885MAOA 2738/4885

“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.