SCHEMBL463829

SCHEMBL463829

CC(C)(C)OC(=O)NCCCCCOc1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.61
CA1 P00915 7/20 0.61
CA2 P00918 7/20 0.61
CA9 Q16790 7/20 0.61
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
EGFR P00533 2/20 0.47
ITK Q08881 2/20 0.47
SUCNR1 Q9BXA5 4/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL25718690 1.00 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL30448576 1.00 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL25718490 0.99 CA1 (0.60) CA12CA1CA2CA9TSHR
SCHEMBL30448898 0.99 CA1 (0.60) CA12CA1CA2CA9TSHR
SCHEMBL10288896 0.95 CA1 (0.59) CA12CA1CA2CA9TSHR
SCHEMBL541782 0.91 CA12 (0.58) CA12CA1CA2CA9TSHR
SCHEMBL29379579 0.91 CA12 (0.58) CA12CA1CA2CA9TSHR
SCHEMBL24061179 0.88 CA1 (0.55) CA12CA1CA2CA9EGFR
SCHEMBL30595926 0.88 CA1 (0.55) CA12CA1CA2CA9EGFR
SCHEMBL18041357 0.87 BCHE (0.52) CA12CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074904-A1 NSD2-TARGETED CHECMICAL DEGRADERTS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-03-06 US disclosed
WO-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 WO disclosed
WO-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 WO disclosed
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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 (3 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-20250074904-A1 NSD2-TARGETED CHECMICAL DEGRADERTS AND COMPOSITIONS AND METHODS OF USE THEREOF NCOR2, NSD2, NCOR1 CA12 4129/4885CA1 4590/4885CA2 4561/4885
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 CA12 3627/4885CA1 3310/4885CA2 3845/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CA12 3929/4885CA1 3361/4885CA2 3956/4885

“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.