SCHEMBL859324

SCHEMBL859324

COC(=O)c1cccc2[nH]c(=S)oc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 6/20 0.51
ALOX5 P09917 1/20 0.43
RIPK1 Q13546 2/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
NR4A2 P43354 2/20 0.42
CREBBP Q92793 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL16174269 0.83 CREBBP (0.49) ALOX5RIPK1PKN1PKN2NR4A2
SCHEMBL1005404 0.76 PSMB8 (0.56) PSMB8ALOX5LMNATSHRALDH1A1
SCHEMBL31726349 0.75 PSMB8 (0.52) PSMB8NR4A2CREBBPLMNA
SCHEMBL6007667 0.72 NR4A2 (0.53) ALOX5RIPK1PKN1PKN2NR4A2
SCHEMBL68630 0.72 LMNA (0.50) NR4A2CREBBPLMNATSHRALDH1A1
SCHEMBL1004828 0.71 PSMB8 (0.42) PSMB8NR4A2LMNATSHRALDH1A1
SCHEMBL845802 0.70 PSMB8 (0.61) PSMB8ALDH1A1KDM4EATMGAA
SCHEMBL4504381 0.69 CREBBP (0.47) ALOX5RIPK1PKN1PKN2NR4A2
SCHEMBL29022514 0.68 KMT2A (0.46) ALOX5RIPK1PKN1PKN2NR4A2
SCHEMBL17686411 0.68 PSMB8 (0.55) PSMB8CREBBPLMNATSHRALDH1A1

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 3098/4885ALOX5 1181/4885RIPK1 165/4885
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 3098/4885ALOX5 1181/4885RIPK1 165/4885

“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.