SCHEMBL859999

SCHEMBL859999

COc1cccc2oc(=S)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 4/20 1.00
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 3/20 0.44
CYP2A6 P11509 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL2149816 0.79 PSMB8 (0.65) PSMB8ALDH1A1KDM4ECYP2A6MEN1
SCHEMBL26382448 0.76 PSMB8 (0.61) PSMB8ALDH1A1KDM4EGAAMEN1
SCHEMBL1005404 0.72 PSMB8 (0.56) PSMB8ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL26382450 0.72 PSMB8 (1.00) PSMB8ALDH1A1KDM4EGAAMEN1
SCHEMBL846260 0.72 PSMB8 (1.00) PSMB8ALDH1A1KDM4EGAAMEN1
SCHEMBL8223813 0.72 PSMB8 (0.61) PSMB8ALDH1A1KDM4EGAAMEN1
SCHEMBL27038341 0.72 PSMB8 (0.61) PSMB8ALDH1A1KDM4EGAAMEN1
SCHEMBL859898 0.71 PSMB8 (0.56) PSMB8ALDH1A1KDM4EGAACYP2A6
SCHEMBL30698828 0.68 PSMB8 (0.52) PSMB8ALDH1A1KDM4EGAAMEN1
SCHEMBL27038166 0.68 PSMB8 (0.52) PSMB8ALDH1A1KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 US disclosed
EP-2432555-B1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2014-04-30 EP disclosed
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 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 (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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 PSMB8 3098/4885ALDH1A1 2342/4885KDM4E 1282/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 PSMB8 3098/4885ALDH1A1 2342/4885KDM4E 1282/4885

“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.