SCHEMBL16154657

SCHEMBL16154657

CC(C)c1nc(-c2cc[nH]c(=O)c2)ccc1-c1cc[nH]c(=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.45
PDE3A Q14432 2/20 0.45
PDE3B Q13370 1/20 0.45
NOTUM Q6P988 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
MTOR P42345 1/20 0.36
CFTR P13569 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
HTT P42858 1/20 0.34
GSK3B P49841 1/20 0.34
LRRK2 Q5S007 1/20 0.33
BRAF P15056 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5AP P20292 1/20 0.33
BTK Q06187 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
SCHEMBL16133537 0.85 BRD4 (0.39) MAP4K4PDE3APDE3BNOTUMMAPT
SCHEMBL16154668 0.84 CLK4 (0.43) MAP4K4PDE3APDE3BMAPTMTOR
SCHEMBL16133541 0.79 MAP4K4 (0.35) MAP4K4PDE3APDE3BNOTUMMAPT
SCHEMBL16135660 0.79 PDE3B (0.58) MAP4K4PDE3APDE3BNOTUMMAPT
SCHEMBL20079127 0.75 MAP4K4 (0.45) MAP4K4PDE3APDE3BNOTUMMAPT
SCHEMBL16154661 0.74 CLK4 (0.49) MTORGSK3BLRRK2BRAFMAPK1
SCHEMBL20078968 0.73 NUDT1 (0.50) MAP4K4LRRK2ALOX5APBTK
SCHEMBL26240134 0.70 MAP4K4 (0.46) MAP4K4PDE3APDE3BNOTUMMAPT
SCHEMBL27973522 0.69 CCR1 (0.50) MAP4K4PDE3APDE3BNOTUMMAPT
SCHEMBL6042142 0.69 NOTUM (0.77) MAP4K4PDE3APDE3BNOTUMMAPT

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-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 MAP4K4 3610/4885PDE3A 1612/4885PDE3B 1457/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD MAP4K4 3667/4885PDE3A 1808/4885PDE3B 1627/4885

“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.