SCHEMBL4067920

SCHEMBL4067920

C=C(OCC)c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
RAPGEF4 Q8WZA2 1/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
NOD1 Q9Y239 2/20 0.36
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
HTR6 P50406 1/20 0.35
NOD2 Q9HC29 1/20 0.35
CD4 P01730 2/20 0.35
BRD4 O60885 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL13769391 0.89 L3MBTL1 (0.46) L3MBTL1RAPGEF4KMT2ALMNAKDM4E
SCHEMBL15428434 0.86 L3MBTL1 (0.48) L3MBTL1RAPGEF4KDM4ETSHRNOD1
SCHEMBL3556162 0.82 L3MBTL1 (0.49) L3MBTL1RAPGEF4TSHRNOD1POLB
SCHEMBL4068111 0.82 L3MBTL1 (0.49) L3MBTL1RAPGEF4KDM4ETSHRALDH1A1
SCHEMBL4119927 0.81 L3MBTL1 (0.45) L3MBTL1RAPGEF4KMT2ATSHRNOD1
SCHEMBL13960904 0.81 L3MBTL1 (0.45) L3MBTL1RAPGEF4KMT2ATSHRALDH1A1
SCHEMBL24262373 0.80 L3MBTL1 (0.43) L3MBTL1RAPGEF4KMT2ALMNAKDM4E
SCHEMBL30575111 0.80 L3MBTL1 (0.43) L3MBTL1RAPGEF4KMT2ALMNAKDM4E
SCHEMBL24262374 0.80 L3MBTL1 (0.43) L3MBTL1RAPGEF4KMT2ALMNAKDM4E
SCHEMBL13494114 0.78 L3MBTL1 (0.50) L3MBTL1RAPGEF4TSHRALDH1A1NOD1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
EP-1844050-B1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2009-01-14 EP disclosed
EP-2001884-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES Vertex Pharmaceuticals, Inc. (US) 2008-12-17 EP disclosed
WO-2007117494-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
WO-2007117494-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
EP-1844050-A1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE Vertex Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
WO-2006096270-A1 PYRROLOPYRIMIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-14 WO disclosed
US-20060183761-A1 Pyrrolopyrimidines useful as inhibitors of protein kinase LEDEBOER MARK 2006-08-17 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 (4 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-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 L3MBTL1 2911/4885RAPGEF4 1036/4885KMT2A 1671/4885
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 L3MBTL1 2062/4885RAPGEF4 2178/4885KMT2A 608/4885
US-20140171454-A1 Substituted Pyrrolo[2,3-d]pyrimidines as Inhibitors of Protein Kinases PRKDC, DCK, CDK2 L3MBTL1 2823/4885RAPGEF4 1522/4885KMT2A 1647/4885
US-20060183761-A1 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 L3MBTL1 2911/4885RAPGEF4 1036/4885KMT2A 1671/4885

“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.