SCHEMBL16201034

SCHEMBL16201034

Cc1ccc(C(=O)N2CCCC(N3C(=O)NC(Cc4cn(C)c5c(Cl)cccc45)C3=O)C2)cc1C#Cc1cnc2ccccn12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.39
RIPK1 Q13546 2/20 0.39
RIPK2 O43353 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
ABL2 P42684 1/20 0.37
LCK P06239 1/20 0.33
CYP3A4 P08684 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
EPHB2 P29323 1/20 0.33
EPHB3 P54753 1/20 0.33
EPHB4 P54760 1/20 0.33
KCNH2 Q12809 1/20 0.33
NEK6 Q9HC98 1/20 0.33

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
SCHEMBL16201023 0.90 RIPK1 (0.49) ABL1RIPK1RIPK2RIPK3ABL2
SCHEMBL16084979 0.81 RIPK1 (0.46) ABL1RIPK1RIPK2RIPK3ABL2
SCHEMBL16084982 0.76 RIPK1 (0.55) ABL1RIPK1RIPK2RIPK3
SCHEMBL16084945 0.71 RIPK1 (0.59) ABL1RIPK1RIPK2RIPK3LCK
SCHEMBL16084986 0.70 RIPK1 (0.60) ABL1RIPK1RIPK2RIPK3
SCHEMBL16084981 0.69 RIPK1 (0.62) ABL1RIPK1RIPK2RIPK3
SCHEMBL16084950 0.68 RIPK1 (0.78) ABL1RIPK1RIPK2RIPK3LCK
SCHEMBL16084947 0.67 RIPK1 (0.68) ABL1RIPK1RIPK2RIPK3ABL2
SCHEMBL11327211 0.65 ABL1 (0.63) ABL1ABL2
SCHEMBL588526 0.64 ABL1 (0.54) ABL1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-30 US disclosed
US-20140323489-A1 HYBRID NECROPTOSIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-30 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 (1 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 ABL1 1547/4885RIPK1 2/4885RIPK2 4/4885

“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.