SCHEMBL13638582

SCHEMBL13638582

C=C1CC(Nc2nccc(-c3cc4ccc(OCC(O)CNC(C)C)cc4s3)n2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.36
ADRB1 P08588 2/20 0.36
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
CYP2D6 P10635 1/20 0.34
CA2 P00918 1/20 0.33
MAPT P10636 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
SCHEMBL3477075 0.90 KCNH2 (0.40) ADRB2ADRB1PTGS1SLC6A2CYP2D6
SCHEMBL13638475 0.89 ADRB2 (0.35) ADRB2ADRB1PTGS1SLC6A2CYP2D6
SCHEMBL13638581 0.84 EIF2AK2 (0.40)
SCHEMBL13638308 0.83 KCNH2 (0.34)
SCHEMBL13638524 0.82 KCNH2 (0.33) MAPT
SCHEMBL13638307 0.80 KCNH2 (0.38)
SCHEMBL3476488 0.79 ADRB2 (0.38) ADRB2ADRB1PTGS1SLC6A2MAPT
SCHEMBL13638309 0.75 KCNH2 (0.38)
SCHEMBL13638291 0.75 CDK4 (0.36)
SCHEMBL13638672 0.73 CDK1 (0.40)

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 ADRB2 2033/4885ADRB1 2600/4885PTGS1 72/4885

“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.