SCHEMBL16201020

SCHEMBL16201020

CCc1cccc(C#Cc2cnc3ccccn23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.39
DDR1 Q08345 3/20 0.39
DDR2 Q16832 3/20 0.39
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
PIK3CA P42336 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MIF P14174 1/20 0.34
KIT P10721 1/20 0.34
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.33
ABL2 P42684 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
SCHEMBL16201021 0.79 ABL1 (0.43) ABL1DDR1DDR2
SCHEMBL15060843 0.73 NPSR1 (0.44) PIK3CANPSR1MIFNPC1GAA
SCHEMBL27874223 0.72 TP53 (0.52) CYP2D6HRH3
SCHEMBL9609621 0.70 NPSR1 (0.41) PIK3CANPSR1MIFNPC1GAA
SCHEMBL28149733 0.69 ALDH1A1 (0.40) ABL1NPSR1MIFNPC1RAB9A
SCHEMBL22854446 0.68 ABL1 (0.46) ABL1NPC1GAAHPGDRAB9A
SCHEMBL21467542 0.66 PDGFRB (0.34) ABL1DDR1DDR2NPSR1KIT
SCHEMBL3700731 0.66 ADORA3 (0.47) PIK3CANPSR1MIFNPC1GAA
SCHEMBL588837 0.66 NPSR1 (0.46) PIK3CANPSR1MIFNPC1GAA
SCHEMBL8360107 0.66 GGPS1 (0.53) PIK3CANPSR1MIFNPC1GAA

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 3 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

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 ABL1 1547/4885DDR1 2020/4885DDR2 3420/4885
US-20160024098-A1 HYBRID NECROPTOSIS INHIBITORS RIPK3, RIPK1, RIPK4 ABL1 1547/4885DDR1 2020/4885DDR2 3420/4885

“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.