SCHEMBL801556

SCHEMBL801556

NS(=O)(=O)c1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP1 O94782 3/20 0.40
WDR48 Q8TAF3 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 2/20 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
SCHEMBL786263 0.85 MAPT (0.48) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL802123 0.85 MEN1 (0.57) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL802515 0.84 MAPT (0.49) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL802524 0.83 MAPT (0.49) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL13107999 0.83 MAPT (0.48) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL785995 0.83 CYP1A2 (0.53) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL801517 0.83 MEN1 (0.44) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL785759 0.81 MEN1 (0.57) MAPTMEN1KMT2ALMNAGBA1
SCHEMBL801542 0.81 CYP1A2 (0.60) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL13107212 0.81 MAPT (0.49) MAPTPOLBMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MAPT 314/4885POLB 3193/4885MAPK1 519/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MAPT 383/4885POLB 3509/4885MAPK1 424/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A MAPT 314/4885POLB 3193/4885MAPK1 519/4885

“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.