SCHEMBL16084969

SCHEMBL16084969

Cc1ccc(C(=O)NCCN2C(=O)NC(Cc3c[nH]c4c(Cl)cccc34)C2=O)cc1C#Cc1cnc2cccnn12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.75
RIPK2 O43353 2/20 0.75
RIPK3 Q9Y572 2/20 0.75
ABL1 P00519 11/20 0.48
CYP3A4 P08684 6/20 0.47
KCNH2 Q12809 6/20 0.47
ROR1 Q01973 5/20 0.46
CSF1R P07333 2/20 0.45
LCK P06239 3/20 0.45
SRC P12931 3/20 0.45
PDGFRA P16234 3/20 0.45
EPHB2 P29323 3/20 0.45
EPHB3 P54753 3/20 0.45
EPHB4 P54760 3/20 0.45
NEK6 Q9HC98 2/20 0.45
DDR2 Q16832 2/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
GAK O14976 1/20 0.43
MLNR O43193 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL16084946 0.96 RIPK1 (0.77) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084960 0.95 RIPK1 (0.67) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084985 0.90 RIPK1 (0.63) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084986 0.90 RIPK1 (0.60) RIPK1RIPK2RIPK3ABL1
SCHEMBL16084959 0.89 RIPK1 (0.59) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084945 0.89 RIPK1 (0.59) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL19225534 0.87 RIPK1 (0.58) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084958 0.87 RIPK1 (0.92) RIPK1RIPK2RIPK3ABL1CYP3A4
SCHEMBL16084951 0.86 RIPK1 (0.59) RIPK1RIPK2RIPK3ABL1
SCHEMBL17471719 0.86 RIPK1 (0.99) RIPK1RIPK2RIPK3ABL1CYP3A4

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 7 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-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-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
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.