SCHEMBL2267698

SCHEMBL2267698

O=Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
MAPT P10636 5/20 0.70
MEN1 O00255 4/20 0.70
HTT P42858 2/20 0.70
RAB9A P51151 1/20 0.70
ALDH1A1 P00352 2/20 0.64
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HSP90AA1 P07900 1/20 0.60
PKM P14618 1/20 0.60
TP53 P04637 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
GAA P10253 1/20 0.59
KDR P35968 1/20 0.59
GRIK1 P39086 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL2267571 0.93 MAPT (0.60) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL2266595 0.90 BAZ1A (0.68) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL2267761 0.88 MTOR (0.58) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL5597699 0.87 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30101230 0.87 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL4548162 0.86 KMT2A (0.87) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL2265083 0.86 KDR (0.58) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL2265428 0.85 KDR (0.62) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL15653089 0.85 KDR (0.62) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17664317 0.83 KMT2A (0.81) KMT2AMAPTMEN1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-8410286-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2013-04-02 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 KMT2A 2593/4885MAPT 2805/4885MEN1 2480/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KMT2A 1345/4885MAPT 501/4885MEN1 1218/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 KMT2A 2544/4885MAPT 2843/4885MEN1 2340/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 KMT2A 2593/4885MAPT 2805/4885MEN1 2480/4885

“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.