SCHEMBL5532025

SCHEMBL5532025

O=c1c2ccccc2ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
KMT2A Q03164 2/20 0.65
STAT1 P42224 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 2/20 0.63
CYP11B1 P15538 1/20 0.63
CYP11B2 P19099 1/20 0.63
MAPK1 P28482 1/20 0.63
RECQL P46063 1/20 0.62
MAPK10 P53779 1/20 0.62
MAPT P10636 1/20 0.61
MEN1 O00255 1/20 0.59
STAT3 P40763 1/20 0.58
HDAC1 Q13547 1/20 0.57
SCD O00767 2/20 0.56
DRD2 P14416 1/20 0.56
DRD5 P21918 1/20 0.56
DRD3 P35462 1/20 0.56
HTR1A P08908 1/20 0.55
HTR7 P34969 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
SCHEMBL16210930 0.89 SMN1; SMN2 (0.64) SMN1; SMN2HTTCYP11B1CYP11B2RECQL
SCHEMBL29692294 0.89 SMN1; SMN2 (0.64) SMN1; SMN2HTTCYP11B1CYP11B2RECQL
SCHEMBL17677816 0.87 GRK2 (0.64) RAB9ASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL5529666 0.87 SMN1; SMN2 (0.67) RAB9AKMT2ASMN1; SMN2HTTCYP11B1
SCHEMBL14048851 0.86 SCD (0.60) SMN1; SMN2HTTMAPK1RECQLMAPK10
SCHEMBL24754468 0.83 SMN1; SMN2 (0.70) RAB9AKMT2ASTAT1SMN1; SMN2HTT
SCHEMBL16220989 0.83 GRK2 (0.75) RAB9AKMT2ASTAT1SMN1; SMN2HTT
SCHEMBL2318142 0.80 PDE5A (0.59) KMT2ASMN1; SMN2HTTCYP11B1CYP11B2
SCHEMBL2318321 0.80 SCD (0.61) SMN1; SMN2SCD
SCHEMBL16221036 0.80 SMN1; SMN2 (0.54) SMN1; SMN2HTTRECQLMAPK10STAT3

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 RAB9A 2330/4885KMT2A 3609/4885STAT1 687/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RAB9A 2267/4885KMT2A 3648/4885STAT1 673/4885
US-20190135718-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RAB9A 2267/4885KMT2A 3648/4885STAT1 673/4885
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 RAB9A 2267/4885KMT2A 3648/4885STAT1 673/4885

“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.