SCHEMBL5527901

SCHEMBL5527901

O=C(Nc1ccccc1)N1N=CCC1c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.82
▸ RIPK1 Q13546 12/20 0.77
▸ MAPT P10636 3/20 0.77
▸ ALDH1A1 P00352 4/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ NPC1 O15118 4/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ SENP8 Q96LD8 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ GAA P10253 1/20 0.55

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
SCHEMBL9378251 0.88 RIPK1 (0.68) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL30679210 0.85 MAPT (1.00) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL30679211 0.85 MAPT (1.00) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL29135188 0.85 MAPT (1.00) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL29135189 0.85 MAPT (1.00) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL23800957 0.84 RIPK1 (0.71) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL23808092 0.84 RIPK1 (0.65) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL23800951 0.83 RIPK1 (0.65) POLBRIPK1MAPTALDH1A1MEN1
SCHEMBL21678867 0.80 RIPK1 (1.00) POLBRIPK1
SCHEMBL9370395 0.80 RIPK1 (1.00) POLBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-05-09 — — US disclosed
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 — — US disclosed
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 — — US disclosed
US-9586880-B2 Small molecule inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-07 — — US disclosed
US-9586880-B2 Small molecule inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-07 — — US disclosed
EP-3000468-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS President and Fellows of Harvard College (US) 2016-03-30 — — EP disclosed
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-23 — — US disclosed
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-23 — — US disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 — — US disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 — — US disclosed
WO-2010075561-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-01 — — 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 (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-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2233/4885RIPK1 3/4885MAPT 2906/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2287/4885RIPK1 3/4885MAPT 2940/4885
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2287/4885RIPK1 3/4885MAPT 2940/4885
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 POLB 2287/4885RIPK1 3/4885MAPT 2940/4885

“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.

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