SCHEMBL845186

SCHEMBL845186

NC(=O)c1c(Cl)ncc(I)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
CDC7 O00311 1/20 0.32
NNMT P40261 2/20 0.32
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31

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
SCHEMBL31727810 0.83 POLB (0.37) POLBSIRT6CDC7NNMTLMNA
SCHEMBL845583 0.82 SMN1; SMN2 (0.36) SIRT6LMNA
SCHEMBL23776740 0.81 POLB (0.36) POLBSIRT6
SCHEMBL16441032 0.81 NPC1 (0.30) POLB
SCHEMBL23235003 0.80 POLB (0.40) POLBSIRT6NNMTLMNAADORA3
SCHEMBL27904171 0.77 POLB (0.50) POLBSIRT6NNMTTSHR
SCHEMBL22836873 0.77 POLB (0.38) POLBSIRT6NNMTLMNA
SCHEMBL27980296 0.76 POLB (0.41) POLBSIRT6NNMTLMNATSHR
SCHEMBL16447451 0.72 ESR1 (0.48) POLBLMNATSHR
SCHEMBL27979261 0.70 BCAT2 (0.43) CDC7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854548-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF THE LIPID MEMBRANE SYNTHESIS, THE MELANINE BIOSYNTHESIS, THE NUCLEIC ACID SYNTHESIS OR THE SIGNAL TRANSDUCTION Bayer Cropscience AG (DE) 2015-04-08 EP claimed
WO-2013178655-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF THE LIPID MEMBRANE SYNTHESIS, THE MELANINE BIOSYNTHESIS, THE NUCLEIC ACID SYNTHESIS OR THE SIGNAL TRANSDUCTION BAYER CROPSCIENCE AG (DE) 2013-12-05 WO claimed
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
CN-102458581-B 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 CORP. (US) 2016-03-30 CN 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 POLB 1038/4885SIRT6 3189/4885CDC7 1148/4885
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 POLB 1038/4885SIRT6 3189/4885CDC7 1148/4885

“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.