SCHEMBL979607

SCHEMBL979607

Nc1cccc(-c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
ALOX5 P09917 1/20 0.53
MAOA P21397 1/20 0.50
PKM P14618 3/20 0.49
CD274 Q9NZQ7 4/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP19A1 P11511 1/20 0.46
FYN P06241 1/20 0.46
MAP4K4 O95819 1/20 0.44
PDCD1 Q15116 2/20 0.44

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
SCHEMBL30469371 0.89 CYP19A1 (0.58) MAPTMAOAPKMNPC1RAB9A
SCHEMBL980270 0.89 CYP19A1 (0.58) MAPTMAOAPKMNPC1RAB9A
SCHEMBL14320591 0.82 MAPT (0.60) CYP11B1CYP11B2MAPTKDM4EGAA
SCHEMBL15677665 0.82 ALOX5 (0.72) CYP11B1CYP11B2MAPTKDM4EGAA
SCHEMBL978675 0.81 DYRK1A (0.62) MAPTMAOANPC1RAB9ASMN1; SMN2
SCHEMBL14154999 0.78 MAPT (0.56) CYP11B1CYP11B2MAPTGAAALOX5
SCHEMBL27478944 0.78 CYP11B1 (0.56) CYP11B1CYP11B2MAPTKDM4EGAA
SCHEMBL13376534 0.78 CYP11B1 (0.56) CYP11B1CYP11B2MAPTKDM4EGAA
SCHEMBL30197402 0.78 MAPT (0.83) MAPTKDM4EGAAALOX5PKM
SCHEMBL159592 0.78 MAPT (0.83) MAPTKDM4EGAAALOX5PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP11B1 2185/4885CYP11B2 1883/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP11B1 1981/4885CYP11B2 1788/4885MAPT 501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CYP11B1 2185/4885CYP11B2 1883/4885MAPT 470/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CYP11B1 4013/4885CYP11B2 4399/4885MAPT 3013/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK CYP11B1 2185/4885CYP11B2 1883/4885MAPT 470/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 CYP11B1 3463/4885CYP11B2 3224/4885MAPT 634/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP11B1 2280/4885CYP11B2 2006/4885MAPT 438/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CYP11B1 2280/4885CYP11B2 2006/4885MAPT 438/4885

“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.