SCHEMBL3607524

SCHEMBL3607524

O=C(O)Cc1cnc(N2CCOCC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
AOC3 Q16853 8/20 0.49
HDAC6 Q9UBN7 1/20 0.45
ACACB O00763 1/20 0.44
PTPN11 Q06124 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HTT P42858 1/20 0.42
KMO O15229 1/20 0.42

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
Hydrochloric Acid SCHEMBL20424762 0.98 POLB (0.64) POLBAOC3HDAC6ACACBPTPN11
SCHEMBL27767066 0.82 HDAC3 (0.50) POLBHDAC6KDM4EALDH1A1
SCHEMBL23683819 0.81 AOC3 (0.62) POLBAOC3KDM4EALDH1A1HTT
SCHEMBL30475671 0.81 AOC3 (0.62) POLBAOC3KDM4EALDH1A1HTT
SCHEMBL8191281 0.81 POLB (0.57) POLBAOC3HDAC6ACACBKDM4E
SCHEMBL20424602 0.81 ACHE (0.44) POLBAOC3KDM4E
Hydrochloric Acid SCHEMBL20424596 0.80 AOC3 (0.60) POLBAOC3KDM4EALDH1A1HTT
SCHEMBL23969474 0.80 RORC (0.50) POLBAOC3HDAC6PTPN11KDM4E
SCHEMBL605729 0.79 POLB (1.00) POLBHDAC6PTPN11KDM4EALDH1A1
SCHEMBL28780925 0.78 PTPN11 (0.41) POLBAOC3PTPN11KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 POLB 2431/4885AOC3 2818/4885HDAC6 1267/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA POLB 4349/4885AOC3 4755/4885HDAC6 509/4885

“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.