SCHEMBL16135658

SCHEMBL16135658

Cc1nc(C#CC(C)(C)O)ccc1-c1cccc2c(=O)[nH]c(=O)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.34
PARP1 P09874 6/20 0.33
TNKS O95271 4/20 0.33
TNKS2 Q9H2K2 4/20 0.33
FLT4 P35916 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TYMP P19971 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL16133551 0.86 MGLL (0.33) MGLLFLT4
SCHEMBL16006664 0.77 PARP1 (0.45) PARP1TNKSTNKS2FLT4
SCHEMBL16135656 0.73 KDR (0.40) PARP1FLT4
SCHEMBL20430124 0.70 MAP3K14 (0.33) FLT4ASIC3
SCHEMBL16157874 0.67 FLT4 (0.33) FLT4
SCHEMBL20430083 0.65 ASIC3 (0.31) FLT4ASIC3
SCHEMBL16154662 0.65 PARP1 (0.40) PARP1TNKSTNKS2FLT4KDM4E
SCHEMBL11269556 0.65 ASIC3 (0.44) FLT4KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL16135661 0.63 CLK4 (0.44)
SCHEMBL2919116 0.62 CHEK1 (0.53) PARP1TNKSTNKS2KDM4EALDH1A1

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 5 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
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 MGLL 2769/4885PARP1 2578/4885TNKS 3587/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 MGLL 2861/4885PARP1 2482/4885TNKS 3459/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD MGLL 2769/4885PARP1 2578/4885TNKS 3587/4885

“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.