SCHEMBL2268197

SCHEMBL2268197

COc1ccc(C)cc1NC(=O)Nc1cccc(C=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.77
MEN1 O00255 9/20 0.77
KMT2A Q03164 9/20 0.77
CASP3 P42574 2/20 0.77
SENP7 Q9BQF6 2/20 0.77
SENP6 Q9GZR1 1/20 0.77
ALDH1A1 P00352 2/20 0.72
TP53 P04637 3/20 0.62
MAPK1 P28482 2/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL2268457 0.88 MEN1 (0.65) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL15653078 0.87 MEN1 (0.59) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL2272501 0.86 MAPT (0.67) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL2272602 0.85 DDX3X (0.55) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL4442005 0.83 KMT2A (1.00) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL15652100 0.83 KMT2A (0.73) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL2270208 0.81 SAE1 (0.63) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL2269748 0.80 RAB9A (0.63) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL15652393 0.79 MEN1 (0.48) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL15651170 0.79 CA1 (0.54) MAPTMEN1KMT2ACASP3SENP7

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 MAPT 2805/4885MEN1 2480/4885KMT2A 2593/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885MEN1 1218/4885KMT2A 1345/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 MAPT 2843/4885MEN1 2340/4885KMT2A 2544/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 MAPT 2805/4885MEN1 2480/4885KMT2A 2593/4885

“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.