SCHEMBL16135656

SCHEMBL16135656

Cc1nc(C#CC(C)(C)O)ccc1-c1cccc2c1CNC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.40
ROCK1 Q13464 5/20 0.40
CLK4 Q9HAZ1 4/20 0.40
ROCK2 O75116 4/20 0.40
RPS6KB1 P23443 4/20 0.40
TAOK1 Q7L7X3 4/20 0.40
HIPK4 Q8NE63 4/20 0.40
AURKB Q96GD4 4/20 0.40
PLK4 O00444 3/20 0.40
NTRK1 P04629 3/20 0.40
MET P08581 3/20 0.40
EPHA2 P29317 3/20 0.40
FLT4 P35916 3/20 0.40
FLT3 P36888 3/20 0.40
NTRK2 Q16620 3/20 0.40
ALK Q9UM73 3/20 0.40
MAP4K4 O95819 3/20 0.40
LCK P06239 3/20 0.40
RET P07949 3/20 0.40
BLK P51451 3/20 0.40

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
SCHEMBL16154660 0.86 KDR (0.36) KDRROCK1CLK4ROCK2RPS6KB1
SCHEMBL16135661 0.78 CLK4 (0.44) KDRROCK1CLK4NTRK1MET
SCHEMBL15984818 0.76 ROCK1 (0.49) KDRROCK1CLK4ROCK2RPS6KB1
SCHEMBL16135658 0.73 MGLL (0.34) FLT4PARP1
SCHEMBL16006664 0.73 PARP1 (0.45) CLK4TAOK1METFLT4ALK
SCHEMBL16133544 0.73
SCHEMBL15980666 0.72 ROCK1 (0.44) KDRROCK1CLK4ROCK2RPS6KB1
SCHEMBL30190467 0.70 CLK4 (0.51) KDRROCK1CLK4ROCK2RPS6KB1
SCHEMBL20430124 0.69 MAP3K14 (0.33) FLT4
SCHEMBL16135649 0.67 PIM1 (0.31) FLT4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 EP disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20140296266-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-02 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 (3 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-20140296266-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDR 3418/4885ROCK1 2390/4885CLK4 4766/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 KDR 3469/4885ROCK1 2291/4885CLK4 4768/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDR 3418/4885ROCK1 2390/4885CLK4 4766/4885

“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.