SCHEMBL16084952

SCHEMBL16084952

O=C(NCCN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O)c1cccc(C#Cc2cnc3ccccn23)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.49
RIPK2 O43353 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
TNF P01375 6/20 0.44
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16084986 0.90 RIPK1 (0.60) RIPK1RIPK2RIPK3TNF
SCHEMBL16084985 0.89 RIPK1 (0.63) RIPK1RIPK2RIPK3TNFDRD2
SCHEMBL16084981 0.86 RIPK1 (0.62) RIPK1RIPK2RIPK3TNF
SCHEMBL16084980 0.82 RIPK1 (0.49) RIPK1RIPK2RIPK3TNFLMNA
SCHEMBL16084969 0.79 RIPK1 (0.75) RIPK1RIPK2RIPK3DRD2DRD3
SCHEMBL16204134 0.79 RIPK1 (0.47) RIPK1RIPK2RIPK3
SCHEMBL16084979 0.79 RIPK1 (0.46) RIPK1RIPK2RIPK3
SCHEMBL16201032 0.77 RIPK1 (0.48) RIPK1RIPK2RIPK3TNFRAB9A
SCHEMBL16084946 0.76 RIPK1 (0.77) RIPK1RIPK2RIPK3DRD2DRD3
SCHEMBL16084982 0.75 RIPK1 (0.55) RIPK1RIPK2RIPK3TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725452-B2 Substituted indoles and pyrroles as RIP kinase inhibitors PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-30 US disclosed
WO-2014145022-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 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 (2 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-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 RIPK1 2/4885RIPK2 4/4885RIPK3 1/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 RIPK1 2/4885RIPK2 4/4885RIPK3 1/4885

“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.